4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine

C60H53ClF4N12O4 — CID 158663029

IUPAC4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2N)c1.COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C30H26F2N6O2.C15H9ClF2N2.C15H18N4O2/c1-18-29(24-5-3-4-6-34-24)37-26-13-20(31)12-23(32)28(26)30(18)36-25-14-27(38-7-9-40-10-8-38)35-17-22(25)19-11-21(39-2)16-33-15-19;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-20-12-6-11(8-17-9-12)13-10-18-15(7-14(13)16)19-2-4-21-5-3-19/h3-6,11-17H,7-10H2,1-2H3,(H,35,36,37);2-7H,1H3;6-10H,2-5H2,1H3,(H2,16,18)
InChIKeyICZNLSNKFBTMOQ-UHFFFAOYSA-N
MW1117.61 g/mol
LogP12.04
Rot. Bonds10

About 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine

4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine (PubChem CID 158663029) has the molecular formula C60H53ClF4N12O4 and a molecular weight of 1117.61 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine.

Molecular Properties

Compound Name4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine
PubChem CID158663029
Molecular FormulaC60H53ClF4N12O4
Molecular Weight1117.61 g/mol
Exact Mass1116.39
IUPAC Name4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2N)c1.COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C30H26F2N6O2.C15H9ClF2N2.C15H18N4O2/c1-18-29(24-5-3-4-6-34-24)37-26-13-20(31)12-23(32)28(26)30(18)36-25-14-27(38-7-9-40-10-8-38)35-17-22(25)19-11-21(39-2)16-33-15-19;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-20-12-6-11(8-17-9-12)13-10-18-15(7-14(13)16)19-2-4-21-5-3-19/h3-6,11-17H,7-10H2,1-2H3,(H,35,36,37);2-7H,1H3;6-10H,2-5H2,1H3,(H2,16,18)
InChIKeyICZNLSNKFBTMOQ-UHFFFAOYSA-N
XLogP12.04
TPSA184.57 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.61
LogP ≤ 512.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230399327, Example 21
CID 163272372
6-[[[1-[2-(3-chloro-8-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44529044
6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44529194
7-chloro-6-[[[1-[2-(6,8-difluoroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44536601
6-[[[1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44536717
US9969749, Example 2-29
CID 130446901
US11420970, Example 224
CID 156073274
US11420970, Example 243
CID 156073389
US20230399327, Example 40
CID 163272414
N4-[2-[(7-chloro-4-quinolyl)amino]ethyl]-N2-(4-methoxyphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
CID 71598367
N-[3-[2-chloro-3-[6-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]-2-methylphenyl]-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 156278967
US20240116947, Example 37
CID 162441358

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine?
The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine (CID 158663029) is 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine.
What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine?
The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine is COc1cncc(-c2cnc(N3CCOCC3)cc2N)c1.COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine?
The InChIKey is ICZNLSNKFBTMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N6O2.C15H9ClF2N2.C15H18N4O2/c1-18-29(24-5-3-4-6-34-24)37-26-13-20(31)12-23(32)28(26)30(18)36-25-14-27(38-7-9-40-10-8-38)35-17-22(25)19-11-21(39-2)16-33-15-19;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-20-12-6-11(8-17-9-12)13-10-18-15(7-14(13)16)19-2-4-21-5-3-19/h3-6,11-17H,7-10H2,1-2H3,(H,35,36,37);2-7H,1H3;6-10H,2-5H2,1H3,(H2,16,18).
What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine?
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine has a molecular weight of 1117.61 g/mol, XLogP of 12.04, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine is sourced from PubChem (CID 158663029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).