5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

C31H27F2N5O2 — CID 59631520

IUPAC5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C31H27F2N5O2/c1-19-29(25-8-3-4-9-34-25)36-26-16-21(32)15-24(33)28(26)30(19)37-27-17-22(38-10-12-40-13-11-38)18-35-31(27)20-6-5-7-23(14-20)39-2/h3-9,14-18H,10-13H2,1-2H3,(H,36,37)
InChIKeyCYKXOMJJROOANR-UHFFFAOYSA-N
MW539.59 g/mol
LogP6.53
Rot. Bonds6

About 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631520) has the molecular formula C31H27F2N5O2 and a molecular weight of 539.59 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631520
Molecular FormulaC31H27F2N5O2
Molecular Weight539.59 g/mol
Exact Mass539.21
IUPAC Name5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C31H27F2N5O2/c1-19-29(25-8-3-4-9-34-25)36-26-16-21(32)15-24(33)28(26)30(19)37-27-17-22(38-10-12-40-13-11-38)18-35-31(27)20-6-5-7-23(14-20)39-2/h3-9,14-18H,10-13H2,1-2H3,(H,36,37)
InChIKeyCYKXOMJJROOANR-UHFFFAOYSA-N
XLogP6.53
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.59
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631520) is 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.
What is the InChIKey of 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is CYKXOMJJROOANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2N5O2/c1-19-29(25-8-3-4-9-34-25)36-26-16-21(32)15-24(33)28(26)30(19)37-27-17-22(38-10-12-40-13-11-38)18-35-31(27)20-6-5-7-23(14-20)39-2/h3-9,14-18H,10-13H2,1-2H3,(H,36,37).
What are the key properties of 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 539.59 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).