5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine

C31H28F2N6O3 — CID 66631633

IUPAC5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine
SMILESCOc1cncc(-c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)ncc3-c3ccc(OC)nc3)c2C)c1
InChIInChI=1S/C31H28F2N6O3/c1-18-30(20-10-22(40-2)16-34-14-20)38-26-12-21(32)11-24(33)29(26)31(18)37-25-13-27(39-6-8-42-9-7-39)35-17-23(25)19-4-5-28(41-3)36-15-19/h4-5,10-17H,6-9H2,1-3H3,(H,35,37,38)
InChIKeyQLHKXOPBLGWDMW-UHFFFAOYSA-N
MW570.60 g/mol
LogP5.94
Rot. Bonds7

About 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine

5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine (PubChem CID 66631633) has the molecular formula C31H28F2N6O3 and a molecular weight of 570.60 g/mol. Its IUPAC name is 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine
PubChem CID66631633
Molecular FormulaC31H28F2N6O3
Molecular Weight570.60 g/mol
Exact Mass570.22
IUPAC Name5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine
SMILESCOc1cncc(-c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)ncc3-c3ccc(OC)nc3)c2C)c1
InChIInChI=1S/C31H28F2N6O3/c1-18-30(20-10-22(40-2)16-34-14-20)38-26-12-21(32)11-24(33)29(26)31(18)37-25-13-27(39-6-8-42-9-7-39)35-17-23(25)19-4-5-28(41-3)36-15-19/h4-5,10-17H,6-9H2,1-3H3,(H,35,37,38)
InChIKeyQLHKXOPBLGWDMW-UHFFFAOYSA-N
XLogP5.94
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.60
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

Inixaciclib
CID 139390026
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
Dibenzo[c,f][2,7]naphthyridine, 14
CID 23648180
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
6-[[[1-[2-(3,7-difluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152871
(1R)-1-[7-[(5-fluoro-2-morpholin-4-yl-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166628927
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
Dibenzo[c,f][2,7]naphthyridine, 13
CID 23648179

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine (CID 66631633) is 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine is COc1cncc(-c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)ncc3-c3ccc(OC)nc3)c2C)c1.
What is the InChIKey of 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine?
The InChIKey is QLHKXOPBLGWDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O3/c1-18-30(20-10-22(40-2)16-34-14-20)38-26-12-21(32)11-24(33)29(26)31(18)37-25-13-27(39-6-8-42-9-7-39)35-17-23(25)19-4-5-28(41-3)36-15-19/h4-5,10-17H,6-9H2,1-3H3,(H,35,37,38).
What are the key properties of 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine?
5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine has a molecular weight of 570.60 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methylquinolin-4-amine is sourced from PubChem (CID 66631633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).