6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide

C17H19ClN2O2 — CID 75517462

IUPAC6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)N(C)C2CCC2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN2O2/c1-3-20-10-14(17(22)19(2)12-5-4-6-12)16(21)13-9-11(18)7-8-15(13)20/h7-10,12H,3-6H2,1-2H3
InChIKeyGURTZBYLIKHMRX-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.30
Rot. Bonds3

About 6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide

6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 75517462) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide
PubChem CID75517462
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)N(C)C2CCC2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN2O2/c1-3-20-10-14(17(22)19(2)12-5-4-6-12)16(21)13-9-11(18)7-8-15(13)20/h7-10,12H,3-6H2,1-2H3
InChIKeyGURTZBYLIKHMRX-UHFFFAOYSA-N
XLogP3.30
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide
CID 43888733
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
CID 39851482
6-chloro-1-ethyl-3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)quinolin-4-one
CID 154780525
N-(1-bicyclo[2.2.2]octanylmethyl)-5-chloro-1-ethylindole-3-carboxamide
CID 58011443
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
6-chloro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 23635151
(5-methyl-1,2-oxazol-3-yl)methyl 6-chloro-1-ethyl-4-oxoquinoline-3-carboxylate
CID 71942164
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-6-methyl-4-oxoquinoline-3-carboxamide
CID 30132118

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide (CID 75517462) is 6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)N(C)C2CCC2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is GURTZBYLIKHMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-20-10-14(17(22)19(2)12-5-4-6-12)16(21)13-9-11(18)7-8-15(13)20/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide?
6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 75517462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).