4-benzyl-6-chloro-1H-quinolin-2-one

C16H12ClNO — CID 175815092

IUPAC4-benzyl-6-chloro-1H-quinolin-2-one
SMILESO=c1cc(Cc2ccccc2)c2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H12ClNO/c17-13-6-7-15-14(10-13)12(9-16(19)18-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,18,19)
InChIKeyFOTARLFOTFOVQT-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.77
Rot. Bonds2

About 4-benzyl-6-chloro-1H-quinolin-2-one

4-benzyl-6-chloro-1H-quinolin-2-one (PubChem CID 175815092) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-benzyl-6-chloro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-benzyl-6-chloro-1H-quinolin-2-one
PubChem CID175815092
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name4-benzyl-6-chloro-1H-quinolin-2-one
SMILESO=c1cc(Cc2ccccc2)c2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H12ClNO/c17-13-6-7-15-14(10-13)12(9-16(19)18-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,18,19)
InChIKeyFOTARLFOTFOVQT-UHFFFAOYSA-N
XLogP3.77
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
CID 139033527
2-benzyl-1-(bromomethyl)-4-chlorobenzene
CID 154112430
6-chloro-4-methoxy-1H-quinolin-2-one
CID 67443391
2-benzyl-5-chlorobenzaldehyde
CID 121230690
6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one
CID 22279011
2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid
CID 83665751
4-benzyl-1H-indol-2-amine
CID 174370998
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
4-benzyl-2-[(4-chlorophenyl)methyl]-1H-pyrazol-3-one
CID 23334322
N-benzyl-5-chloro-1H-indazol-3-amine
CID 142275552
4-(aminomethyl)-1H-quinolin-2-one;hydrochloride
CID 54595267
6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one
CID 118323968

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-chloro-1H-quinolin-2-one?
The IUPAC name of 4-benzyl-6-chloro-1H-quinolin-2-one (CID 175815092) is 4-benzyl-6-chloro-1H-quinolin-2-one.
What is the SMILES notation for 4-benzyl-6-chloro-1H-quinolin-2-one?
The canonical SMILES for 4-benzyl-6-chloro-1H-quinolin-2-one is O=c1cc(Cc2ccccc2)c2cc(Cl)ccc2[nH]1.
What is the InChIKey of 4-benzyl-6-chloro-1H-quinolin-2-one?
The InChIKey is FOTARLFOTFOVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-13-6-7-15-14(10-13)12(9-16(19)18-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,18,19).
What are the key properties of 4-benzyl-6-chloro-1H-quinolin-2-one?
4-benzyl-6-chloro-1H-quinolin-2-one has a molecular weight of 269.73 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-chloro-1H-quinolin-2-one is sourced from PubChem (CID 175815092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).