1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate

C115H146N18O8 — CID 159691838

IUPAC1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(CN(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(CN(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(N(C)C)C4)cc23)CC1
InChIInChI=1S/C31H41N5O2.C29H37N5O.C28H34N4O3.C27H34N4O2/c1-34(15-16-35-17-19-38-20-18-35)22-23-7-10-28-27(21-23)31(33-30(32-28)25-8-9-25)36-13-11-24(12-14-36)26-5-3-4-6-29(26)37-2;1-32(2)23-14-17-34(19-23)22-10-11-26-25(18-22)29(31-28(30-26)21-8-9-21)33-15-12-20(13-16-33)24-6-4-5-7-27(24)35-3;1-4-35-26(33)18-31(2)21-11-12-24-23(17-21)28(30-27(29-24)20-9-10-20)32-15-13-19(14-16-32)22-7-5-6-8-25(22)34-3;1-30(15-16-32)18-19-7-10-24-23(17-19)27(29-26(28-24)21-8-9-21)31-13-11-20(12-14-31)22-5-3-4-6-25(22)33-2/h3-7,10,21,24-25H,8-9,11-20,22H2,1-2H3;4-7,10-11,18,20-21,23H,8-9,12-17,19H2,1-3H3;5-8,11-12,17,19-20H,4,9-10,13-16,18H2,1-3H3;3-7,10,17,20-21,32H,8-9,11-16,18H2,1-2H3
InChIKeyMWMZTXGANAXYNB-UHFFFAOYSA-N
MW1908.55 g/mol
LogP18.93
Rot. Bonds31

About 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate

1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate (PubChem CID 159691838) has the molecular formula C115H146N18O8 and a molecular weight of 1908.55 g/mol. Its IUPAC name is 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate.

Molecular Properties

Compound Name1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate
PubChem CID159691838
Molecular FormulaC115H146N18O8
Molecular Weight1908.55 g/mol
Exact Mass1907.16
IUPAC Name1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(CN(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(CN(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(N(C)C)C4)cc23)CC1
InChIInChI=1S/C31H41N5O2.C29H37N5O.C28H34N4O3.C27H34N4O2/c1-34(15-16-35-17-19-38-20-18-35)22-23-7-10-28-27(21-23)31(33-30(32-28)25-8-9-25)36-13-11-24(12-14-36)26-5-3-4-6-29(26)37-2;1-32(2)23-14-17-34(19-23)22-10-11-26-25(18-22)29(31-28(30-26)21-8-9-21)33-15-12-20(13-16-33)24-6-4-5-7-27(24)35-3;1-4-35-26(33)18-31(2)21-11-12-24-23(17-21)28(30-27(29-24)20-9-10-20)32-15-13-19(14-16-32)22-7-5-6-8-25(22)34-3;1-30(15-16-32)18-19-7-10-24-23(17-19)27(29-26(28-24)21-8-9-21)31-13-11-20(12-14-31)22-5-3-4-6-25(22)33-2/h3-7,10,21,24-25H,8-9,11-20,22H2,1-2H3;4-7,10-11,18,20-21,23H,8-9,12-17,19H2,1-3H3;5-8,11-12,17,19-20H,4,9-10,13-16,18H2,1-3H3;3-7,10,17,20-21,32H,8-9,11-16,18H2,1-2H3
InChIKeyMWMZTXGANAXYNB-UHFFFAOYSA-N
XLogP18.93
TPSA228.20 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001908.55
LogP ≤ 518.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate with MolForge

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Related Compounds

ethane;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate
CID 144986131
2-cyclopentyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 159033519
(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617781
1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylmethanamine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-2-methoxy-N-methylethanamine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;2-cyclopropyl-6-[(3S)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline
CID 159714332
2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde
CID 144986141
2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617719
ethane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine
CID 144986109
2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol
CID 157236988
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
CID 144986165
2-[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]ethanol
CID 118610326
2-[[2-cyclopropyl-4-[(3R)-3-(2-methoxyanilino)pyrrolidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617972
[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]methanol
CID 130356430

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate?
The IUPAC name of 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate (CID 159691838) is 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate.
What is the SMILES notation for 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate?
The canonical SMILES for 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate is CCOC(=O)CN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(CN(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(CN(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(N(C)C)C4)cc23)CC1.
What is the InChIKey of 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate?
The InChIKey is MWMZTXGANAXYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O2.C29H37N5O.C28H34N4O3.C27H34N4O2/c1-34(15-16-35-17-19-38-20-18-35)22-23-7-10-28-27(21-23)31(33-30(32-28)25-8-9-25)36-13-11-24(12-14-36)26-5-3-4-6-29(26)37-2;1-32(2)23-14-17-34(19-23)22-10-11-26-25(18-22)29(31-28(30-26)21-8-9-21)33-15-12-20(13-16-33)24-6-4-5-7-27(24)35-3;1-4-35-26(33)18-31(2)21-11-12-24-23(17-21)28(30-27(29-24)20-9-10-20)32-15-13-19(14-16-32)22-7-5-6-8-25(22)34-3;1-30(15-16-32)18-19-7-10-24-23(17-19)27(29-26(28-24)21-8-9-21)31-13-11-20(12-14-31)22-5-3-4-6-25(22)33-2/h3-7,10,21,24-25H,8-9,11-20,22H2,1-2H3;4-7,10-11,18,20-21,23H,8-9,12-17,19H2,1-3H3;5-8,11-12,17,19-20H,4,9-10,13-16,18H2,1-3H3;3-7,10,17,20-21,32H,8-9,11-16,18H2,1-2H3.
What are the key properties of 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate?
1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate has a molecular weight of 1908.55 g/mol, XLogP of 18.93, 31 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl-methylamino]ethanol;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate is sourced from PubChem (CID 159691838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).