6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine

C176H260N42O18 — CID 159438755

IUPAC6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCCC1CCCN1c1nc(N[C@H]2CCCNC2)c2cc(OC)c(OC)cc2n1.CCC1CCN(c2nc(N[C@H]3CCCNC3)c3cc(OC)c(OC)cc3n2)C1.CCCCCCNc1nc(N[C@H]2CCCNC2)c2cc(OC)c(OC)cc2n1.CCCOCCOCCNc1nc(N[C@H]2CCCNC2)c2cc(OC)c(OC)cc2n1.COc1cc2c(N[C@@H]3CCCNC3)nc(N3CCCC3)nc2cc1OCc1ccccc1.COc1cc2c(N[C@H]3CCCNC3)nc(N3CCCC3)nc2cc1OCCCN1CCCCC1.COc1cc2nc(N3CCC(C)C3)nc(N[C@H]3CCCNC3)c2cc1OC.COc1cc2nc(N3CCN(C)CC3)nc(N[C@H]3CCCNC3)c2cc1OC
InChIInChI=1S/C26H40N6O2.C25H31N5O2.C22H35N5O4.2C21H31N5O2.C21H33N5O2.C20H30N6O2.C20H29N5O2/c1-33-23-17-21-22(18-24(23)34-16-8-13-31-11-3-2-4-12-31)29-26(32-14-5-6-15-32)30-25(21)28-20-9-7-10-27-19-20;1-31-22-14-20-21(15-23(22)32-17-18-8-3-2-4-9-18)28-25(30-12-5-6-13-30)29-24(20)27-19-10-7-11-26-16-19;1-4-9-30-11-12-31-10-8-24-22-26-18-14-20(29-3)19(28-2)13-17(18)21(27-22)25-16-6-5-7-23-15-16;1-4-15-8-6-10-26(15)21-24-17-12-19(28-3)18(27-2)11-16(17)20(25-21)23-14-7-5-9-22-13-14;1-4-14-7-9-26(13-14)21-24-17-11-19(28-3)18(27-2)10-16(17)20(25-21)23-15-6-5-8-22-12-15;1-4-5-6-7-11-23-21-25-17-13-19(28-3)18(27-2)12-16(17)20(26-21)24-15-9-8-10-22-14-15;1-25-7-9-26(10-8-25)20-23-16-12-18(28-3)17(27-2)11-15(16)19(24-20)22-14-5-4-6-21-13-14;1-13-6-8-25(12-13)20-23-16-10-18(27-3)17(26-2)9-15(16)19(24-20)22-14-5-4-7-21-11-14/h17-18,20,27H,2-16,19H2,1H3,(H,28,29,30);2-4,8-9,14-15,19,26H,5-7,10-13,16-17H2,1H3,(H,27,28,29);13-14,16,23H,4-12,15H2,1-3H3,(H2,24,25,26,27);11-12,14-15,22H,4-10,13H2,1-3H3,(H,23,24,25);10-11,14-15,22H,4-9,12-13H2,1-3H3,(H,23,24,25);12-13,15,22H,4-11,14H2,1-3H3,(H2,23,24,25,26);11-12,14,21H,4-10,13H2,1-3H3,(H,22,23,24);9-10,13-14,21H,4-8,11-12H2,1-3H3,(H,22,23,24)/t20-;19-;16-;14-,15?;14?,15-;15-;14-;13?,14-/m01000000/s1
InChIKeyLRXFPQQMKCPNHN-QZTKKRADSA-N
MW3252.29 g/mol
LogP24.56
Rot. Bonds61

About 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine

6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine (PubChem CID 159438755) has the molecular formula C176H260N42O18 and a molecular weight of 3252.29 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine
PubChem CID159438755
Molecular FormulaC176H260N42O18
Molecular Weight3252.29 g/mol
Exact Mass3250.07
IUPAC Name6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCCC1CCCN1c1nc(N[C@H]2CCCNC2)c2cc(OC)c(OC)cc2n1.CCC1CCN(c2nc(N[C@H]3CCCNC3)c3cc(OC)c(OC)cc3n2)C1.CCCCCCNc1nc(N[C@H]2CCCNC2)c2cc(OC)c(OC)cc2n1.CCCOCCOCCNc1nc(N[C@H]2CCCNC2)c2cc(OC)c(OC)cc2n1.COc1cc2c(N[C@@H]3CCCNC3)nc(N3CCCC3)nc2cc1OCc1ccccc1.COc1cc2c(N[C@H]3CCCNC3)nc(N3CCCC3)nc2cc1OCCCN1CCCCC1.COc1cc2nc(N3CCC(C)C3)nc(N[C@H]3CCCNC3)c2cc1OC.COc1cc2nc(N3CCN(C)CC3)nc(N[C@H]3CCCNC3)c2cc1OC
InChIInChI=1S/C26H40N6O2.C25H31N5O2.C22H35N5O4.2C21H31N5O2.C21H33N5O2.C20H30N6O2.C20H29N5O2/c1-33-23-17-21-22(18-24(23)34-16-8-13-31-11-3-2-4-12-31)29-26(32-14-5-6-15-32)30-25(21)28-20-9-7-10-27-19-20;1-31-22-14-20-21(15-23(22)32-17-18-8-3-2-4-9-18)28-25(30-12-5-6-13-30)29-24(20)27-19-10-7-11-26-16-19;1-4-9-30-11-12-31-10-8-24-22-26-18-14-20(29-3)19(28-2)13-17(18)21(27-22)25-16-6-5-7-23-15-16;1-4-15-8-6-10-26(15)21-24-17-12-19(28-3)18(27-2)11-16(17)20(25-21)23-14-7-5-9-22-13-14;1-4-14-7-9-26(13-14)21-24-17-11-19(28-3)18(27-2)10-16(17)20(25-21)23-15-6-5-8-22-12-15;1-4-5-6-7-11-23-21-25-17-13-19(28-3)18(27-2)12-16(17)20(26-21)24-15-9-8-10-22-14-15;1-25-7-9-26(10-8-25)20-23-16-12-18(28-3)17(27-2)11-15(16)19(24-20)22-14-5-4-6-21-13-14;1-13-6-8-25(12-13)20-23-16-10-18(27-3)17(26-2)9-15(16)19(24-20)22-14-5-4-7-21-11-14/h17-18,20,27H,2-16,19H2,1H3,(H,28,29,30);2-4,8-9,14-15,19,26H,5-7,10-13,16-17H2,1H3,(H,27,28,29);13-14,16,23H,4-12,15H2,1-3H3,(H2,24,25,26,27);11-12,14-15,22H,4-10,13H2,1-3H3,(H,23,24,25);10-11,14-15,22H,4-9,12-13H2,1-3H3,(H,23,24,25);12-13,15,22H,4-11,14H2,1-3H3,(H2,23,24,25,26);11-12,14,21H,4-10,13H2,1-3H3,(H,22,23,24);9-10,13-14,21H,4-8,11-12H2,1-3H3,(H,22,23,24)/t20-;19-;16-;14-,15?;14?,15-;15-;14-;13?,14-/m01000000/s1
InChIKeyLRXFPQQMKCPNHN-QZTKKRADSA-N
XLogP24.56
TPSA614.84 Ų
H-Bond Donors18
H-Bond Acceptors60
Rotatable Bonds61
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003252.29
LogP ≤ 524.56
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine (CID 159438755) is 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine is CCC1CCCN1c1nc(N[C@H]2CCCNC2)c2cc(OC)c(OC)cc2n1.CCC1CCN(c2nc(N[C@H]3CCCNC3)c3cc(OC)c(OC)cc3n2)C1.CCCCCCNc1nc(N[C@H]2CCCNC2)c2cc(OC)c(OC)cc2n1.CCCOCCOCCNc1nc(N[C@H]2CCCNC2)c2cc(OC)c(OC)cc2n1.COc1cc2c(N[C@@H]3CCCNC3)nc(N3CCCC3)nc2cc1OCc1ccccc1.COc1cc2c(N[C@H]3CCCNC3)nc(N3CCCC3)nc2cc1OCCCN1CCCCC1.COc1cc2nc(N3CCC(C)C3)nc(N[C@H]3CCCNC3)c2cc1OC.COc1cc2nc(N3CCN(C)CC3)nc(N[C@H]3CCCNC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine?
The InChIKey is LRXFPQQMKCPNHN-QZTKKRADSA-N. The full InChI is InChI=1S/C26H40N6O2.C25H31N5O2.C22H35N5O4.2C21H31N5O2.C21H33N5O2.C20H30N6O2.C20H29N5O2/c1-33-23-17-21-22(18-24(23)34-16-8-13-31-11-3-2-4-12-31)29-26(32-14-5-6-15-32)30-25(21)28-20-9-7-10-27-19-20;1-31-22-14-20-21(15-23(22)32-17-18-8-3-2-4-9-18)28-25(30-12-5-6-13-30)29-24(20)27-19-10-7-11-26-16-19;1-4-9-30-11-12-31-10-8-24-22-26-18-14-20(29-3)19(28-2)13-17(18)21(27-22)25-16-6-5-7-23-15-16;1-4-15-8-6-10-26(15)21-24-17-12-19(28-3)18(27-2)11-16(17)20(25-21)23-14-7-5-9-22-13-14;1-4-14-7-9-26(13-14)21-24-17-11-19(28-3)18(27-2)10-16(17)20(25-21)23-15-6-5-8-22-12-15;1-4-5-6-7-11-23-21-25-17-13-19(28-3)18(27-2)12-16(17)20(26-21)24-15-9-8-10-22-14-15;1-25-7-9-26(10-8-25)20-23-16-12-18(28-3)17(27-2)11-15(16)19(24-20)22-14-5-4-6-21-13-14;1-13-6-8-25(12-13)20-23-16-10-18(27-3)17(26-2)9-15(16)19(24-20)22-14-5-4-7-21-11-14/h17-18,20,27H,2-16,19H2,1H3,(H,28,29,30);2-4,8-9,14-15,19,26H,5-7,10-13,16-17H2,1H3,(H,27,28,29);13-14,16,23H,4-12,15H2,1-3H3,(H2,24,25,26,27);11-12,14-15,22H,4-10,13H2,1-3H3,(H,23,24,25);10-11,14-15,22H,4-9,12-13H2,1-3H3,(H,23,24,25);12-13,15,22H,4-11,14H2,1-3H3,(H2,23,24,25,26);11-12,14,21H,4-10,13H2,1-3H3,(H,22,23,24);9-10,13-14,21H,4-8,11-12H2,1-3H3,(H,22,23,24)/t20-;19-;16-;14-,15?;14?,15-;15-;14-;13?,14-/m01000000/s1.
What are the key properties of 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine?
6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine has a molecular weight of 3252.29 g/mol, XLogP of 24.56, 61 rotatable bonds, 18 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-2-(3-methylpyrrolidin-1-yl)-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]-2-N-[2-(2-propoxyethoxy)ethyl]quinazoline-2,4-diamine;2-(2-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-(3-ethylpyrrolidin-1-yl)-6,7-dimethoxy-N-[(3S)-piperidin-3-yl]quinazolin-4-amine;2-N-hexyl-6,7-dimethoxy-4-N-[(3S)-piperidin-3-yl]quinazoline-2,4-diamine;6-methoxy-7-phenylmethoxy-N-[(3R)-piperidin-3-yl]-2-pyrrolidin-1-ylquinazolin-4-amine;6-methoxy-N-[(3S)-piperidin-3-yl]-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 159438755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).