N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide

C20H18FN3O3 — CID 46632736

IUPACN-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3ccc(F)c(NC(C)=O)c3)cc2c1
InChIInChI=1S/C20H18FN3O3/c1-11-16(9-13-8-15(27-3)5-7-18(13)22-11)20(26)24-14-4-6-17(21)19(10-14)23-12(2)25/h4-10H,1-3H3,(H,23,25)(H,24,26)
InChIKeyMZCGKHIRQXSESF-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.90
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide

N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 46632736) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
PubChem CID46632736
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3ccc(F)c(NC(C)=O)c3)cc2c1
InChIInChI=1S/C20H18FN3O3/c1-11-16(9-13-8-15(27-3)5-7-18(13)22-11)20(26)24-14-4-6-17(21)19(10-14)23-12(2)25/h4-10H,1-3H3,(H,23,25)(H,24,26)
InChIKeyMZCGKHIRQXSESF-UHFFFAOYSA-N
XLogP3.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 33311358
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463
6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 17404602
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33076586
N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 34319138
(E)-N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55532975
ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate
CID 33261281
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46467441
N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55552057

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide (CID 46632736) is N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)Nc3ccc(F)c(NC(C)=O)c3)cc2c1.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is MZCGKHIRQXSESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-11-16(9-13-8-15(27-3)5-7-18(13)22-11)20(26)24-14-4-6-17(21)19(10-14)23-12(2)25/h4-10H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide?
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46632736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).