4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile

C64H53ClF4N12O4 — CID 161154509

IUPAC4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile
SMILESCOc1cc(-c2cnc(N3CCOCC3)cc2N)ccc1C#N.COc1cc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)ccc1C#N.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C32H26F2N6O2.C17H18N4O2.C15H9ClF2N2/c1-19-31(25-5-3-4-8-36-25)39-27-15-22(33)14-24(34)30(27)32(19)38-26-16-29(40-9-11-42-12-10-40)37-18-23(26)20-6-7-21(17-35)28(13-20)41-2;1-22-16-8-12(2-3-13(16)10-18)14-11-20-17(9-15(14)19)21-4-6-23-7-5-21;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11/h3-8,13-16,18H,9-12H2,1-2H3,(H,37,38,39);2-3,8-9,11H,4-7H2,1H3,(H2,19,20);2-7H,1H3
InChIKeyUPCRFWAZYWDTON-UHFFFAOYSA-N
MW1165.65 g/mol
LogP12.99
Rot. Bonds10

About 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile

4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile (PubChem CID 161154509) has the molecular formula C64H53ClF4N12O4 and a molecular weight of 1165.65 g/mol. Its IUPAC name is 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile
PubChem CID161154509
Molecular FormulaC64H53ClF4N12O4
Molecular Weight1165.65 g/mol
Exact Mass1164.39
IUPAC Name4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile
SMILESCOc1cc(-c2cnc(N3CCOCC3)cc2N)ccc1C#N.COc1cc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)ccc1C#N.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C32H26F2N6O2.C17H18N4O2.C15H9ClF2N2/c1-19-31(25-5-3-4-8-36-25)39-27-15-22(33)14-24(34)30(27)32(19)38-26-16-29(40-9-11-42-12-10-40)37-18-23(26)20-6-7-21(17-35)28(13-20)41-2;1-22-16-8-12(2-3-13(16)10-18)14-11-20-17(9-15(14)19)21-4-6-23-7-5-21;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11/h3-8,13-16,18H,9-12H2,1-2H3,(H,37,38,39);2-3,8-9,11H,4-7H2,1H3,(H2,19,20);2-7H,1H3
InChIKeyUPCRFWAZYWDTON-UHFFFAOYSA-N
XLogP12.99
TPSA206.37 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001165.65
LogP ≤ 512.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile with MolForge

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Launch Full Analysis

Related Compounds

N-(2,5-di-4-morpholinyl-3-pyridinyl)-5,7-difluoro-2-(6-methoxy-2-pyridinyl)-3-methyl-4-quinolinamine
CID 50906572
5,7-difluoro-N-(5'-fluoro-6'-methoxy-6-morpholino-3,3'-bipyridin-4-yl)-3-methyl-2-(pyridin-2-yl)-quinolin-4-amine
CID 56597849
5,7-difluoro-3-methyl-N-(2-morpholino-5-(4-(trifluoromethoxy)phenyl)pyridin-4-yl)-2-(pyridin-2-yl)-quinolin-4-amine
CID 56597983
5,7-difluoro-3-methyl-N-(2-morpholino-5-(3-(trifluoromethoxy)phenyl)pyridin-4-yl)-2-(pyridin-2-yl)-quinolin-4-amine
CID 56597984
N-(2,5-dimorpholinopyridin-3-yl)-5,7-difluoro-2-(2-methoxypyridin-4-yl)-3-methylquinolin-4-amine
CID 59631066
N-(2,5-dimorpholinopyridin-3-yl)-5,7-difluoro-2-(6-methoxypyridin-3-yl)-3-methylquinolin-4-amine
CID 59631350
5,7-difluoro-N-(6'-methoxy-6-morpholino-3,3'-bipyridin-4-yl)-2-(5-methoxypyridin-3-yl)-3-methylquinolin-4-amine
CID 66631633
8-chloro-7-fluoro-N-(5'-methoxy-6-morpholino-3,3'-bipyridin-4-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 66631686
5,7-difluoro-N-(6'-methoxy-2'-methyl-6-morpholino-3,3'-bipyridin-4-yl)-3-methyl-2-(4-methylpyridin-2-yl)quinolin-4-amine
CID 66631946
5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 66632125
5-fluoro-N-(5'-methoxy-6-morpholino-3,3'-bipyridin-4-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 66632133
5,7-difluoro-N-(5-(3-fluoro-4-methoxyphenyl)-2-morpholinopyridin-4-yl)-3-methyl-2-(4-methylpyridin-2-yl)quinolin-4-amine
CID 66632148

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile?
The IUPAC name of 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile (CID 161154509) is 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile is COc1cc(-c2cnc(N3CCOCC3)cc2N)ccc1C#N.COc1cc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)ccc1C#N.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile?
The InChIKey is UPCRFWAZYWDTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N6O2.C17H18N4O2.C15H9ClF2N2/c1-19-31(25-5-3-4-8-36-25)39-27-15-22(33)14-24(34)30(27)32(19)38-26-16-29(40-9-11-42-12-10-40)37-18-23(26)20-6-7-21(17-35)28(13-20)41-2;1-22-16-8-12(2-3-13(16)10-18)14-11-20-17(9-15(14)19)21-4-6-23-7-5-21;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11/h3-8,13-16,18H,9-12H2,1-2H3,(H,37,38,39);2-3,8-9,11H,4-7H2,1H3,(H2,19,20);2-7H,1H3.
What are the key properties of 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile?
4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile has a molecular weight of 1165.65 g/mol, XLogP of 12.99, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-2-methoxybenzonitrile;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-methoxybenzonitrile is sourced from PubChem (CID 161154509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).