5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine

C31H29FN6O2 — CID 66632174

IUPAC5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3c(C)ccc(F)c23)c1
InChIInChI=1S/C31H29FN6O2/c1-19-7-8-24(32)28-29(19)37-30(25-6-4-5-9-34-25)20(2)31(28)36-26-15-27(38-10-12-40-13-11-38)35-18-23(26)21-14-22(39-3)17-33-16-21/h4-9,14-18H,10-13H2,1-3H3,(H,35,36,37)
InChIKeyHIFMLDYWCUNBNX-UHFFFAOYSA-N
MW536.61 g/mol
LogP6.10
Rot. Bonds6

About 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine

5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 66632174) has the molecular formula C31H29FN6O2 and a molecular weight of 536.61 g/mol. Its IUPAC name is 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID66632174
Molecular FormulaC31H29FN6O2
Molecular Weight536.61 g/mol
Exact Mass536.23
IUPAC Name5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3c(C)ccc(F)c23)c1
InChIInChI=1S/C31H29FN6O2/c1-19-7-8-24(32)28-29(19)37-30(25-6-4-5-9-34-25)20(2)31(28)36-26-15-27(38-10-12-40-13-11-38)35-18-23(26)21-14-22(39-3)17-33-16-21/h4-9,14-18H,10-13H2,1-3H3,(H,35,36,37)
InChIKeyHIFMLDYWCUNBNX-UHFFFAOYSA-N
XLogP6.10
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.61
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-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

5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
CID 66632301
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine
CID 50906575
N-[2-(3-ethylazetidin-1-yl)-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 123146776
5,7-difluoro-3-methyl-N-[5-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
CID 66632153
5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 158067060
8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631140
4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66632404
N-[5-(1,1-dihydroxythian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 89485351
2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine
CID 123257246
4-[[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]amino]-3-methyl-2-(4-methyl-2-pyridinyl)quinoline-8-carbonitrile
CID 87425878
N-[2-[3-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631562
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline
CID 162120593

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine (CID 66632174) is 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine is COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3c(C)ccc(F)c23)c1.
What is the InChIKey of 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is HIFMLDYWCUNBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN6O2/c1-19-7-8-24(32)28-29(19)37-30(25-6-4-5-9-34-25)20(2)31(28)36-26-15-27(38-10-12-40-13-11-38)35-18-23(26)21-14-22(39-3)17-33-16-21/h4-9,14-18H,10-13H2,1-3H3,(H,35,36,37).
What are the key properties of 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine?
5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 536.61 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 66632174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).