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

C27H20F2N4O — CID 59631332

IUPAC5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ccccc1-c1ncccc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12
InChIInChI=1S/C27H20F2N4O/c1-16-25(20-9-5-6-12-30-20)33-22-15-17(28)14-19(29)24(22)26(16)32-21-10-7-13-31-27(21)18-8-3-4-11-23(18)34-2/h3-15H,1-2H3,(H,32,33)
InChIKeyKRHNTEUQMSPVKO-UHFFFAOYSA-N
MW454.48 g/mol
LogP6.70
Rot. Bonds5

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

5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631332) has the molecular formula C27H20F2N4O and a molecular weight of 454.48 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631332
Molecular FormulaC27H20F2N4O
Molecular Weight454.48 g/mol
Exact Mass454.16
IUPAC Name5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ccccc1-c1ncccc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12
InChIInChI=1S/C27H20F2N4O/c1-16-25(20-9-5-6-12-30-20)33-22-15-17(28)14-19(29)24(22)26(16)32-21-10-7-13-31-27(21)18-8-3-4-11-23(18)34-2/h3-15H,1-2H3,(H,32,33)
InChIKeyKRHNTEUQMSPVKO-UHFFFAOYSA-N
XLogP6.70
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631332) is 5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1ccccc1-c1ncccc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.
What is the InChIKey of 5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is KRHNTEUQMSPVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O/c1-16-25(20-9-5-6-12-30-20)33-22-15-17(28)14-19(29)24(22)26(16)32-21-10-7-13-31-27(21)18-8-3-4-11-23(18)34-2/h3-15H,1-2H3,(H,32,33).
What are the key properties of 5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 454.48 g/mol, XLogP of 6.70, 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-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).