N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide

C17H12F2N2O2 — CID 33314527

IUPACN-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C17H12F2N2O2/c1-23-12-4-7-14-10(8-12)2-5-16(20-14)17(22)21-15-6-3-11(18)9-13(15)19/h2-9H,1H3,(H,21,22)
InChIKeyNOAUJXVYMOKJCV-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.77
Rot. Bonds3

About N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide

N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide (PubChem CID 33314527) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide
PubChem CID33314527
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC NameN-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C17H12F2N2O2/c1-23-12-4-7-14-10(8-12)2-5-16(20-14)17(22)21-15-6-3-11(18)9-13(15)19/h2-9H,1H3,(H,21,22)
InChIKeyNOAUJXVYMOKJCV-UHFFFAOYSA-N
XLogP3.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314112
N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33316078
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide
CID 166435654
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
5-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200219
N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007
N-(3-acetylphenyl)-6-methoxyquinoline-2-carboxamide
CID 18131971
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 35801722
methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate
CID 110464431
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
CID 24601678
N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4519031

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide (CID 33314527) is N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3ccc(F)cc3F)ccc2c1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide?
The InChIKey is NOAUJXVYMOKJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-23-12-4-7-14-10(8-12)2-5-16(20-14)17(22)21-15-6-3-11(18)9-13(15)19/h2-9H,1H3,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide?
N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide has a molecular weight of 314.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 33314527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).