6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine

C133H122N34O11 — CID 158518338

IUPAC6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(-n4cccn4)cc23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3ccc(CC(=O)C4CCN(C)CC4)cc23)ccc1Oc1ccc2c(c1)ncn2C.Cc1cc(Nc2ncnc3ccc(OC(=O)N4CCN(C)CC4)cc23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3ccc(OCC4CC4)cc23)ccc1Oc1ccc2ncnn2c1.Cc1cc(Nc2ncnc3ccc(OCCOC4CC4)cc23)ccc1Oc1ccc2ncnn2c1
InChIInChI=1S/C31H32N6O2.C27H26N8O3.C26H24N6O3.C25H22N6O2.C24H18N8O/c1-20-14-23(5-9-30(20)39-24-6-8-28-27(17-24)34-19-37(28)3)35-31-25-15-21(4-7-26(25)32-18-33-31)16-29(38)22-10-12-36(2)13-11-22;1-18-13-19(3-6-24(18)37-21-7-8-35-25(15-21)29-17-31-35)32-26-22-14-20(4-5-23(22)28-16-30-26)38-27(36)34-11-9-33(2)10-12-34;1-17-12-18(2-8-24(17)35-21-6-9-25-28-16-30-32(25)14-21)31-26-22-13-20(5-7-23(22)27-15-29-26)34-11-10-33-19-3-4-19;1-16-10-18(4-8-23(16)33-20-6-9-24-27-15-29-31(24)12-20)30-25-21-11-19(32-13-17-2-3-17)5-7-22(21)26-14-28-25;1-16-11-17(3-6-22(16)33-19-7-10-32-23(13-19)26-15-29-32)30-24-20-12-18(31-9-2-8-28-31)4-5-21(20)25-14-27-24/h4-9,14-15,17-19,22H,10-13,16H2,1-3H3,(H,32,33,35);3-8,13-17H,9-12H2,1-2H3,(H,28,30,32);2,5-9,12-16,19H,3-4,10-11H2,1H3,(H,27,29,31);4-12,14-15,17H,2-3,13H2,1H3,(H,26,28,30);2-15H,1H3,(H,25,27,30)
InChIKeyHLXDCKFRFHMJAO-UHFFFAOYSA-N
MW2372.67 g/mol
LogP25.16
Rot. Bonds33

About 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine

6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine (PubChem CID 158518338) has the molecular formula C133H122N34O11 and a molecular weight of 2372.67 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine
PubChem CID158518338
Molecular FormulaC133H122N34O11
Molecular Weight2372.67 g/mol
Exact Mass2371.00
IUPAC Name6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(-n4cccn4)cc23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3ccc(CC(=O)C4CCN(C)CC4)cc23)ccc1Oc1ccc2c(c1)ncn2C.Cc1cc(Nc2ncnc3ccc(OC(=O)N4CCN(C)CC4)cc23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3ccc(OCC4CC4)cc23)ccc1Oc1ccc2ncnn2c1.Cc1cc(Nc2ncnc3ccc(OCCOC4CC4)cc23)ccc1Oc1ccc2ncnn2c1
InChIInChI=1S/C31H32N6O2.C27H26N8O3.C26H24N6O3.C25H22N6O2.C24H18N8O/c1-20-14-23(5-9-30(20)39-24-6-8-28-27(17-24)34-19-37(28)3)35-31-25-15-21(4-7-26(25)32-18-33-31)16-29(38)22-10-12-36(2)13-11-22;1-18-13-19(3-6-24(18)37-21-7-8-35-25(15-21)29-17-31-35)32-26-22-14-20(4-5-23(22)28-16-30-26)38-27(36)34-11-9-33(2)10-12-34;1-17-12-18(2-8-24(17)35-21-6-9-25-28-16-30-32(25)14-21)31-26-22-13-20(5-7-23(22)27-15-29-26)34-11-10-33-19-3-4-19;1-16-10-18(4-8-23(16)33-20-6-9-24-27-15-29-31(24)12-20)30-25-21-11-19(32-13-17-2-3-17)5-7-22(21)26-14-28-25;1-16-11-17(3-6-22(16)33-19-7-10-32-23(13-19)26-15-29-32)30-24-20-12-18(31-9-2-8-28-31)4-5-21(20)25-14-27-24/h4-9,14-15,17-19,22H,10-13,16H2,1-3H3,(H,32,33,35);3-8,13-17H,9-12H2,1-2H3,(H,28,30,32);2,5-9,12-16,19H,3-4,10-11H2,1H3,(H,27,29,31);4-12,14-15,17H,2-3,13H2,1H3,(H,26,28,30);2-15H,1H3,(H,25,27,30)
InChIKeyHLXDCKFRFHMJAO-UHFFFAOYSA-N
XLogP25.16
TPSA472.38 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds33
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002372.67
LogP ≤ 525.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine (CID 158518338) is 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(-n4cccn4)cc23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3ccc(CC(=O)C4CCN(C)CC4)cc23)ccc1Oc1ccc2c(c1)ncn2C.Cc1cc(Nc2ncnc3ccc(OC(=O)N4CCN(C)CC4)cc23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3ccc(OCC4CC4)cc23)ccc1Oc1ccc2ncnn2c1.Cc1cc(Nc2ncnc3ccc(OCCOC4CC4)cc23)ccc1Oc1ccc2ncnn2c1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine?
The InChIKey is HLXDCKFRFHMJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O2.C27H26N8O3.C26H24N6O3.C25H22N6O2.C24H18N8O/c1-20-14-23(5-9-30(20)39-24-6-8-28-27(17-24)34-19-37(28)3)35-31-25-15-21(4-7-26(25)32-18-33-31)16-29(38)22-10-12-36(2)13-11-22;1-18-13-19(3-6-24(18)37-21-7-8-35-25(15-21)29-17-31-35)32-26-22-14-20(4-5-23(22)28-16-30-26)38-27(36)34-11-9-33(2)10-12-34;1-17-12-18(2-8-24(17)35-21-6-9-25-28-16-30-32(25)14-21)31-26-22-13-20(5-7-23(22)27-15-29-26)34-11-10-33-19-3-4-19;1-16-10-18(4-8-23(16)33-20-6-9-24-27-15-29-31(24)12-20)30-25-21-11-19(32-13-17-2-3-17)5-7-22(21)26-14-28-25;1-16-11-17(3-6-22(16)33-19-7-10-32-23(13-19)26-15-29-32)30-24-20-12-18(31-9-2-8-28-31)4-5-21(20)25-14-27-24/h4-9,14-15,17-19,22H,10-13,16H2,1-3H3,(H,32,33,35);3-8,13-17H,9-12H2,1-2H3,(H,28,30,32);2,5-9,12-16,19H,3-4,10-11H2,1H3,(H,27,29,31);4-12,14-15,17H,2-3,13H2,1H3,(H,26,28,30);2-15H,1H3,(H,25,27,30).
What are the key properties of 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine?
6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine has a molecular weight of 2372.67 g/mol, XLogP of 25.16, 33 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl] 4-methylpiperazine-1-carboxylate;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-pyrazol-1-ylquinazolin-4-amine is sourced from PubChem (CID 158518338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).