6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one

C15H15ClF3NO — CID 20671902

IUPAC6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
SMILESO=C1CC(CCC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1
InChIInChI=1S/C15H15ClF3NO/c16-10-3-4-12-11(7-10)14(15(17,18)19,8-13(21)20-12)6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,20,21)
InChIKeyRWGKEIVLZOUQIF-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.67
Rot. Bonds3

About 6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one

6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one (PubChem CID 20671902) has the molecular formula C15H15ClF3NO and a molecular weight of 317.74 g/mol. Its IUPAC name is 6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
PubChem CID20671902
Molecular FormulaC15H15ClF3NO
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
SMILESO=C1CC(CCC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1
InChIInChI=1S/C15H15ClF3NO/c16-10-3-4-12-11(7-10)14(15(17,18)19,8-13(21)20-12)6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,20,21)
InChIKeyRWGKEIVLZOUQIF-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-6-chloro-4-[(E)-2-cyclopropylethenyl]-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
CID 169436494
6-chloro-4-[(E)-2-cyclopropylethenyl]-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
CID 20671906
7-chloro-5-(cyclopropylmethylsulfanyl)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
CID 22013712
7-chloro-5-(cyclopropylmethoxy)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
CID 22013696
6-chloro-4-(2-cyclopropylethenyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
CID 72630986
(5R)-7-chloro-3-cyclopropyl-5-prop-2-enoxy-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
CID 70224574
(5R)-7-chloro-5-[(E)-2-cyclopropylethenyl]-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one
CID 70194776
(5R)-7-chloro-3-cyclopropyl-5-prop-2-enylsulfanyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
CID 70224871
(3S,5S)-3-(2-bromoethyl)-7-chloro-5-[(E)-2-cyclopropylethenyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one
CID 86755964
5-chloro-3,3-bis(trifluoromethyl)-2H-inden-1-one
CID 167432461
7-chloro-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one
CID 18416102
7-chloro-4-pent-1-enyl-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 173267880

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one (CID 20671902) is 6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one is O=C1CC(CCC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one?
The InChIKey is RWGKEIVLZOUQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3NO/c16-10-3-4-12-11(7-10)14(15(17,18)19,8-13(21)20-12)6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,20,21).
What are the key properties of 6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one?
6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one has a molecular weight of 317.74 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 20671902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).