N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide

C18H14F2N2O2 — CID 34319138

IUPACN-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc(F)cc(F)c3)c(C)nc2c1
InChIInChI=1S/C18H14F2N2O2/c1-10-16(5-11-3-4-15(24-2)9-17(11)21-10)18(23)22-14-7-12(19)6-13(20)8-14/h3-9H,1-2H3,(H,22,23)
InChIKeyYJHAFVOVXLOQTN-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.08
Rot. Bonds3

About N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide

N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 34319138) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID34319138
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC NameN-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc(F)cc(F)c3)c(C)nc2c1
InChIInChI=1S/C18H14F2N2O2/c1-10-16(5-11-3-4-15(24-2)9-17(11)21-10)18(23)22-14-7-12(19)6-13(20)8-14/h3-9H,1-2H3,(H,22,23)
InChIKeyYJHAFVOVXLOQTN-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate
CID 41499824
N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 31859590
N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17488486
N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520644
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 46632736

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide (CID 34319138) is N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3cc(F)cc(F)c3)c(C)nc2c1.
What is the InChIKey of N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is YJHAFVOVXLOQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-10-16(5-11-3-4-15(24-2)9-17(11)21-10)18(23)22-14-7-12(19)6-13(20)8-14/h3-9H,1-2H3,(H,22,23).
What are the key properties of N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide?
N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 34319138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).