6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one

C20H19ClN2O2 — CID 135483665

IUPAC6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
SMILESCc1cc(-c2c(C3=CCCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C20H19ClN2O2/c1-12-10-17(25-23-12)19-18(13-6-4-2-3-5-7-13)15-11-14(21)8-9-16(15)22-20(19)24/h6,8-11H,2-5,7H2,1H3,(H,22,24)
InChIKeyGSQRZAKCDMEPEX-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.49
Rot. Bonds2

About 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one

6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one (PubChem CID 135483665) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
PubChem CID135483665
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
SMILESCc1cc(-c2c(C3=CCCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C20H19ClN2O2/c1-12-10-17(25-23-12)19-18(13-6-4-2-3-5-7-13)15-11-14(21)8-9-16(15)22-20(19)24/h6,8-11H,2-5,7H2,1H3,(H,22,24)
InChIKeyGSQRZAKCDMEPEX-UHFFFAOYSA-N
XLogP5.49
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one with MolForge

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Related Compounds

Avl-3288
CID 16005981
6-Chloro-3-(3-methylisoxazol-5-YL)-4-phenylquinolin-2(1H)-one
CID 135457822
N-(2-carbamoylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 987751
Ccmi
CID 17757386
N-(3-Chlorophenyl)-N-((8-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 42618052
6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135442635
3-(3-methyl-isoxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one
CID 135489139
6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135499847
6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
CID 135531166
3-(3-Amino-isoxazol-5-yl)-6-chloro-4-phenyl-1H-quinolin-2-one
CID 135531176
6-chloro-4-(cyclohexen-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135545383
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-(4-methylphenyl)-1H-quinolin-2-one
CID 136018630

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one (CID 135483665) is 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one is Cc1cc(-c2c(C3=CCCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1.
What is the InChIKey of 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
The InChIKey is GSQRZAKCDMEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-12-10-17(25-23-12)19-18(13-6-4-2-3-5-7-13)15-11-14(21)8-9-16(15)22-20(19)24/h6,8-11H,2-5,7H2,1H3,(H,22,24).
What are the key properties of 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one?
6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one has a molecular weight of 354.84 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135483665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).