N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)

C197H243Cl2F2N39O12 — CID 159258377

IUPACN-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)
SMILESCC.CC.CC.CC.CC.CC.CC.CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(C)CN1CCOCC1.COc1cc2ncnc(Nc3ccccc3)c2cc1OCCCN1CCOCC1.Cc1ccc(NC(=O)c2ccc(C(C)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(C)C3C)cc2)cc1N(C)c1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C32H37N7O.C30H33N7O.2C29H31N7O.C23H26ClFN4O3.C22H26N4O3.C18H17ClFN3O2.7C2H6/c1-22-8-13-28(19-30(22)38(5)32-34-16-14-29(36-32)27-7-6-15-33-20-27)35-31(40)26-11-9-25(10-12-26)21-39-18-17-37(4)23(2)24(39)3;1-21-6-11-26(19-28(21)35-30-32-14-12-27(34-30)25-5-4-13-31-20-25)33-29(38)24-9-7-23(8-10-24)22(2)37-17-15-36(3)16-18-37;2*1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-15(12-29-5-7-31-8-6-29)13-32-22-10-17-20(11-21(22)30-2)26-14-27-23(17)28-16-3-4-19(25)18(24)9-16;1-27-20-15-19-18(22(24-16-23-19)25-17-6-3-2-4-7-17)14-21(20)29-11-5-8-26-9-12-28-13-10-26;1-3-6-25-17-8-12-15(9-16(17)24-2)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11;7*1-2/h6-16,19-20,23-24H,17-18,21H2,1-5H3,(H,35,40);4-14,19-20,22H,15-18H2,1-3H3,(H,33,38)(H,32,34,35);2*3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,26,27,28);2-4,6-7,14-16H,5,8-13H2,1H3,(H,23,24,25);4-5,7-10H,3,6H2,1-2H3,(H,21,22,23);7*1-2H3
InChIKeyKWEQLMNXZFGMFT-UHFFFAOYSA-N
MW3458.27 g/mol
LogP39.87
Rot. Bonds50

About N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) (PubChem CID 159258377) has the molecular formula C197H243Cl2F2N39O12 and a molecular weight of 3458.27 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide).

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)
PubChem CID159258377
Molecular FormulaC197H243Cl2F2N39O12
Molecular Weight3458.27 g/mol
Exact Mass3454.89
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)
SMILESCC.CC.CC.CC.CC.CC.CC.CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(C)CN1CCOCC1.COc1cc2ncnc(Nc3ccccc3)c2cc1OCCCN1CCOCC1.Cc1ccc(NC(=O)c2ccc(C(C)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(C)C3C)cc2)cc1N(C)c1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C32H37N7O.C30H33N7O.2C29H31N7O.C23H26ClFN4O3.C22H26N4O3.C18H17ClFN3O2.7C2H6/c1-22-8-13-28(19-30(22)38(5)32-34-16-14-29(36-32)27-7-6-15-33-20-27)35-31(40)26-11-9-25(10-12-26)21-39-18-17-37(4)23(2)24(39)3;1-21-6-11-26(19-28(21)35-30-32-14-12-27(34-30)25-5-4-13-31-20-25)33-29(38)24-9-7-23(8-10-24)22(2)37-17-15-36(3)16-18-37;2*1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-15(12-29-5-7-31-8-6-29)13-32-22-10-17-20(11-21(22)30-2)26-14-27-23(17)28-16-3-4-19(25)18(24)9-16;1-27-20-15-19-18(22(24-16-23-19)25-17-6-3-2-4-7-17)14-21(20)29-11-5-8-26-9-12-28-13-10-26;1-3-6-25-17-8-12-15(9-16(17)24-2)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11;7*1-2/h6-16,19-20,23-24H,17-18,21H2,1-5H3,(H,35,40);4-14,19-20,22H,15-18H2,1-3H3,(H,33,38)(H,32,34,35);2*3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,26,27,28);2-4,6-7,14-16H,5,8-13H2,1H3,(H,23,24,25);4-5,7-10H,3,6H2,1-2H3,(H,21,22,23);7*1-2H3
InChIKeyKWEQLMNXZFGMFT-UHFFFAOYSA-N
XLogP39.87
TPSA530.08 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds50
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003458.27
LogP ≤ 539.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) with MolForge

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Related Compounds

3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 11519624
3-chloro-4-fluoro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646074
N-(3-{[7-Methoxy-6-(2-Pyrrolidin-1-Ylethoxy)quinazolin-4-Yl]amino}-4-Methylphenyl)-2-Morpholin-4-Ylisonicotinamide
CID 5327065
N-[2-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-5-yl]benzamide
CID 23646073
4-ethyl-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646076
3-chloro-N-(5-(6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-ylamino)pyrimidin-2-yl)benzamide
CID 44408804
N-{3-[6-(2-Dimethylamino-ethoxy)-7-methoxy-quinazolin-4-ylamino]-4-methyl-phenyl}-2-morpholin-4-yl-isonicotinamide
CID 9959427
N-{3-[6-(2-Diisopropylamino-ethoxy)-7-methoxy-quinazolin-4-ylamino]-4-methyl-phenyl}-2-morpholin-4-yl-isonicotinamide
CID 9960569
(2S,4S)-4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-(2-morpholin-4-ylethyl)-1-prop-2-enoylpiperidine-2-carboxamide
CID 25126752
N-{3-[7-Methoxy-6-(2-morpholin-4-yl-ethoxy)-quinazolin-4-ylamino]-4-methyl-phenyl}-2-morpholin-4-yl-isonicotinamide
CID 44395045
N-{3-[7-Methoxy-6-(2-piperidin-1-yl-ethoxy)-quinazolin-4-ylamino]-4-methyl-phenyl}-2-morpholin-4-yl-isonicotinamide
CID 44395089
3-chloro-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550688

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) (CID 159258377) is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide).
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) is CC.CC.CC.CC.CC.CC.CC.CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(C)CN1CCOCC1.COc1cc2ncnc(Nc3ccccc3)c2cc1OCCCN1CCOCC1.Cc1ccc(NC(=O)c2ccc(C(C)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(C)C3C)cc2)cc1N(C)c1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)?
The InChIKey is KWEQLMNXZFGMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O.C30H33N7O.2C29H31N7O.C23H26ClFN4O3.C22H26N4O3.C18H17ClFN3O2.7C2H6/c1-22-8-13-28(19-30(22)38(5)32-34-16-14-29(36-32)27-7-6-15-33-20-27)35-31(40)26-11-9-25(10-12-26)21-39-18-17-37(4)23(2)24(39)3;1-21-6-11-26(19-28(21)35-30-32-14-12-27(34-30)25-5-4-13-31-20-25)33-29(38)24-9-7-23(8-10-24)22(2)37-17-15-36(3)16-18-37;2*1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-15(12-29-5-7-31-8-6-29)13-32-22-10-17-20(11-21(22)30-2)26-14-27-23(17)28-16-3-4-19(25)18(24)9-16;1-27-20-15-19-18(22(24-16-23-19)25-17-6-3-2-4-7-17)14-21(20)29-11-5-8-26-9-12-28-13-10-26;1-3-6-25-17-8-12-15(9-16(17)24-2)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11;7*1-2/h6-16,19-20,23-24H,17-18,21H2,1-5H3,(H,35,40);4-14,19-20,22H,15-18H2,1-3H3,(H,33,38)(H,32,34,35);2*3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,26,27,28);2-4,6-7,14-16H,5,8-13H2,1H3,(H,23,24,25);4-5,7-10H,3,6H2,1-2H3,(H,21,22,23);7*1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)?
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) has a molecular weight of 3458.27 g/mol, XLogP of 39.87, 50 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;N-[4-methyl-3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,3,4-trimethylpiperazin-1-yl)methyl]benzamide;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide) is sourced from PubChem (CID 159258377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).