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

C17H15FN2O2 — CID 18168498

IUPAC7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(C)c1ccco1
InChIInChI=1S/C17H15FN2O2/c1-10-14(8-12-5-6-13(18)9-15(12)19-10)17(21)20-11(2)16-4-3-7-22-16/h3-9,11H,1-2H3,(H,20,21)
InChIKeyGUGUYFRJBTXDPQ-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.77
Rot. Bonds3

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

7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide (PubChem CID 18168498) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide
PubChem CID18168498
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(C)c1ccco1
InChIInChI=1S/C17H15FN2O2/c1-10-14(8-12-5-6-13(18)9-15(12)19-10)17(21)20-11(2)16-4-3-7-22-16/h3-9,11H,1-2H3,(H,20,21)
InChIKeyGUGUYFRJBTXDPQ-UHFFFAOYSA-N
XLogP3.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide
CID 78852957
N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46665827
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
5-fluoro-N-[1-(furan-2-yl)ethyl]-2-nitrobenzamide
CID 60875839
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 18126967
propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate
CID 46808074
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide
CID 60821638
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
N-[1-(furan-2-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18116872
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide (CID 18168498) is 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)NC(C)c1ccco1.
What is the InChIKey of 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide?
The InChIKey is GUGUYFRJBTXDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10-14(8-12-5-6-13(18)9-15(12)19-10)17(21)20-11(2)16-4-3-7-22-16/h3-9,11H,1-2H3,(H,20,21).
What are the key properties of 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide?
7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide has a molecular weight of 298.32 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 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 18168498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).