N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide

C19H16ClFN2O — CID 46665827

IUPACN-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClFN2O/c1-11(13-4-3-5-15(20)8-13)23-19(24)17-9-14-6-7-16(21)10-18(14)22-12(17)2/h3-11H,1-2H3,(H,23,24)
InChIKeyHFJIZBQEWBBROX-UHFFFAOYSA-N
MW342.80 g/mol
LogP4.83
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide

N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 46665827) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide
PubChem CID46665827
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClFN2O/c1-11(13-4-3-5-15(20)8-13)23-19(24)17-9-14-6-7-16(21)10-18(14)22-12(17)2/h3-11H,1-2H3,(H,23,24)
InChIKeyHFJIZBQEWBBROX-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 18168498
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate
CID 46808074
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133
7-fluoro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-3-carboxamide
CID 46808458
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
methyl 2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate
CID 51128333
methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate
CID 52538002

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide (CID 46665827) is N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is HFJIZBQEWBBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c1-11(13-4-3-5-15(20)8-13)23-19(24)17-9-14-6-7-16(21)10-18(14)22-12(17)2/h3-11H,1-2H3,(H,23,24).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46665827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).