3-butyl-4-chloro-1-phenylquinolin-2-one

C19H18ClNO — CID 139216420

IUPAC3-butyl-4-chloro-1-phenylquinolin-2-one
SMILESCCCCc1c(Cl)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H18ClNO/c1-2-3-11-16-18(20)15-12-7-8-13-17(15)21(19(16)22)14-9-5-4-6-10-14/h4-10,12-13H,2-3,11H2,1H3
InChIKeyQSEWQCMEJZPYBJ-UHFFFAOYSA-N
MW311.81 g/mol
LogP4.99
Rot. Bonds4

About 3-butyl-4-chloro-1-phenylquinolin-2-one

3-butyl-4-chloro-1-phenylquinolin-2-one (PubChem CID 139216420) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-butyl-4-chloro-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-butyl-4-chloro-1-phenylquinolin-2-one
PubChem CID139216420
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name3-butyl-4-chloro-1-phenylquinolin-2-one
SMILESCCCCc1c(Cl)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H18ClNO/c1-2-3-11-16-18(20)15-12-7-8-13-17(15)21(19(16)22)14-9-5-4-6-10-14/h4-10,12-13H,2-3,11H2,1H3
InChIKeyQSEWQCMEJZPYBJ-UHFFFAOYSA-N
XLogP4.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
CID 110273136
3-ethyl-4-(methylamino)-1-phenylquinolin-2-one
CID 123908561
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
3-methyl-2-pentyl-1-phenylquinolin-4-one
CID 139115439
3,4-dibutyl-2-oxoquinoline-1-carboxamide
CID 121348479
21-phenyl-10-(4-propylphenyl)-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-20-one
CID 123790370
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
9,10-dibutylanthracene
CID 605822
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
2-(2-methyl-1-phenylindol-3-yl)ethanamine
CID 744625
5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504654
1-(9-phenylcarbazol-3-yl)pentan-1-one
CID 140927753

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-chloro-1-phenylquinolin-2-one?
The IUPAC name of 3-butyl-4-chloro-1-phenylquinolin-2-one (CID 139216420) is 3-butyl-4-chloro-1-phenylquinolin-2-one.
What is the SMILES notation for 3-butyl-4-chloro-1-phenylquinolin-2-one?
The canonical SMILES for 3-butyl-4-chloro-1-phenylquinolin-2-one is CCCCc1c(Cl)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-butyl-4-chloro-1-phenylquinolin-2-one?
The InChIKey is QSEWQCMEJZPYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO/c1-2-3-11-16-18(20)15-12-7-8-13-17(15)21(19(16)22)14-9-5-4-6-10-14/h4-10,12-13H,2-3,11H2,1H3.
What are the key properties of 3-butyl-4-chloro-1-phenylquinolin-2-one?
3-butyl-4-chloro-1-phenylquinolin-2-one has a molecular weight of 311.81 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-chloro-1-phenylquinolin-2-one is sourced from PubChem (CID 139216420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).