8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one

C17H16ClNO2 — CID 82174159

IUPAC8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(c(C(O)c3ccccc3Cl)c1)NC(=O)CC2
InChIInChI=1S/C17H16ClNO2/c1-10-8-11-6-7-15(20)19-16(11)13(9-10)17(21)12-4-2-3-5-14(12)18/h2-5,8-9,17,21H,6-7H2,1H3,(H,19,20)
InChIKeyQEZFAYBKFFDNIG-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.61
Rot. Bonds2

About 8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one

8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174159) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174159
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(c(C(O)c3ccccc3Cl)c1)NC(=O)CC2
InChIInChI=1S/C17H16ClNO2/c1-10-8-11-6-7-15(20)19-16(11)13(9-10)17(21)12-4-2-3-5-14(12)18/h2-5,8-9,17,21H,6-7H2,1H3,(H,19,20)
InChIKeyQEZFAYBKFFDNIG-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174233
6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232
6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174281
8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174090
6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82173975
8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174151
7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 82172433
6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 106862670
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 84595322
6-[(3-chloro-2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 81264995
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one (CID 82174159) is 8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(c(C(O)c3ccccc3Cl)c1)NC(=O)CC2.
What is the InChIKey of 8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QEZFAYBKFFDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-10-8-11-6-7-15(20)19-16(11)13(9-10)17(21)12-4-2-3-5-14(12)18/h2-5,8-9,17,21H,6-7H2,1H3,(H,19,20).
What are the key properties of 8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 301.77 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).