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

C18H17FN2O2 — CID 78852957

IUPAC7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)N(C)C(C)c1ccco1
InChIInChI=1S/C18H17FN2O2/c1-11-15(9-13-6-7-14(19)10-16(13)20-11)18(22)21(3)12(2)17-5-4-8-23-17/h4-10,12H,1-3H3
InChIKeyMFMOTHLLCXLSCI-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.11
Rot. Bonds3

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

7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide (PubChem CID 78852957) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide
PubChem CID78852957
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)N(C)C(C)c1ccco1
InChIInChI=1S/C18H17FN2O2/c1-11-15(9-13-6-7-14(19)10-16(13)20-11)18(22)21(3)12(2)17-5-4-8-23-17/h4-10,12H,1-3H3
InChIKeyMFMOTHLLCXLSCI-UHFFFAOYSA-N
XLogP4.11
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 18168498
7-fluoro-N,2-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-3-carboxamide
CID 46667228
2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119192837
N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 46677441
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate
CID 78877927
N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78853229
N-ethyl-7-fluoro-2-methyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 46550538
7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 86858306
[2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 42895795
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 18126967
3-[3-ethoxypropyl-(7-fluoro-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 119208299

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of 7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide (CID 78852957) is 7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)N(C)C(C)c1ccco1.
What is the InChIKey of 7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is MFMOTHLLCXLSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-15(9-13-6-7-14(19)10-16(13)20-11)18(22)21(3)12(2)17-5-4-8-23-17/h4-10,12H,1-3H3.
What are the key properties of 7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide?
7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 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]-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 78852957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).