6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one

C22H13F5N2O2 — CID 67616993

IUPAC6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C22H13F5N2O2/c1-11-20(29-19-9-17(24)16(23)8-15(19)21(11)30)13-4-7-18(28-10-13)12-2-5-14(6-3-12)31-22(25,26)27/h2-10H,1H3,(H,29,30)
InChIKeyNHSQTPSQPZWHMV-UHFFFAOYSA-N
MW432.35 g/mol
LogP5.74
Rot. Bonds3

About 6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one

6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one (PubChem CID 67616993) has the molecular formula C22H13F5N2O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
PubChem CID67616993
Molecular FormulaC22H13F5N2O2
Molecular Weight432.35 g/mol
Exact Mass432.09
IUPAC Name6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C22H13F5N2O2/c1-11-20(29-19-9-17(24)16(23)8-15(19)21(11)30)13-4-7-18(28-10-13)12-2-5-14(6-3-12)31-22(25,26)27/h2-10H,1H3,(H,29,30)
InChIKeyNHSQTPSQPZWHMV-UHFFFAOYSA-N
XLogP5.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

HPGDS inhibitor 2
CID 129247606
3-(4-Methoxyphenyl)quinoxaline-5-carboxamide
CID 9965481
Aminopyridine N-oxide, 55
CID 24744181
Aminopyridine N-oxide, 44
CID 24745605
7-Methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
CID 67617600
4-oxo-2-[4-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,6-naphthyridine-3-carbonitrile
CID 57328385
2-Methyl-3-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-3-pyridinyl]-6-chloro-7-methoxy-4(1H)-quinolinone
CID 101882803
2-Methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-6-chloro-7-methoxy-4(1H)-quinolinone
CID 101882805
4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide
CID 2568535
2-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 3133485
2-{[(4-methoxyphenyl)carbonyl]amino}-N-(pyridin-4-yl)benzamide
CID 829444
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The IUPAC name of 6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one (CID 67616993) is 6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one.
What is the SMILES notation for 6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The canonical SMILES for 6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)c(F)cc2c1=O.
What is the InChIKey of 6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The InChIKey is NHSQTPSQPZWHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5N2O2/c1-11-20(29-19-9-17(24)16(23)8-15(19)21(11)30)13-4-7-18(28-10-13)12-2-5-14(6-3-12)31-22(25,26)27/h2-10H,1H3,(H,29,30).
What are the key properties of 6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one has a molecular weight of 432.35 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one is sourced from PubChem (CID 67616993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).