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

C28H22F2N4O — CID 91290376

IUPAC5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ccc(-c2ncc(C)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1
InChIInChI=1S/C28H22F2N4O/c1-16-12-24(28(32-15-16)18-7-9-20(35-3)10-8-18)34-27-17(2)26(22-6-4-5-11-31-22)33-23-14-19(29)13-21(30)25(23)27/h4-15H,1-3H3,(H,33,34)
InChIKeyUPKDUQJXKJUMHU-UHFFFAOYSA-N
MW468.51 g/mol
LogP7.01
Rot. Bonds5

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

5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 91290376) has the molecular formula C28H22F2N4O and a molecular weight of 468.51 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID91290376
Molecular FormulaC28H22F2N4O
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ccc(-c2ncc(C)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1
InChIInChI=1S/C28H22F2N4O/c1-16-12-24(28(32-15-16)18-7-9-20(35-3)10-8-18)34-27-17(2)26(22-6-4-5-11-31-22)33-23-14-19(29)13-21(30)25(23)27/h4-15H,1-3H3,(H,33,34)
InChIKeyUPKDUQJXKJUMHU-UHFFFAOYSA-N
XLogP7.01
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
SB 714786
CID 10287730
1,2-Ethanediamine, N'-(2-(4-methoxyphenyl)-4-quinolinyl)-N,N-dimethyl-
CID 453054
5-Fluoro-4-methoxy-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-(trifluoromethyl)quinoline
CID 12004141
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
Benzo[c][2,7]naphthyridine, 32
CID 44236930
8,9-Dimethoxy-2-{5-[(3-methoxyphenyl)amino]pyridin-3-yl}benzo[c][2,7]naphthyridin-4-amine
CID 44236932
Benzo[c][2,7]naphthyridine, 35
CID 44236933
Benzo[c][2,7]naphthyridine, 42
CID 44236940
N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 16077296
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-(trifluoromethyl)-quinoline
CID 12004255

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 91290376) is 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1ccc(-c2ncc(C)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1.
What is the InChIKey of 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is UPKDUQJXKJUMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N4O/c1-16-12-24(28(32-15-16)18-7-9-20(35-3)10-8-18)34-27-17(2)26(22-6-4-5-11-31-22)33-23-14-19(29)13-21(30)25(23)27/h4-15H,1-3H3,(H,33,34).
What are the key properties of 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 468.51 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-methyl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 91290376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).