2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one

C22H18ClNO2 — CID 110534841

IUPAC2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(c2ccc(OCc3ccccc3)c(Cl)c2)Nc2ccccc21
InChIInChI=1S/C22H18ClNO2/c23-18-12-16(10-11-22(18)26-14-15-6-2-1-3-7-15)20-13-21(25)17-8-4-5-9-19(17)24-20/h1-12,20,24H,13-14H2
InChIKeyFRLQRVMEIBPDOR-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.66
Rot. Bonds4

About 2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one

2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 110534841) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID110534841
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(c2ccc(OCc3ccccc3)c(Cl)c2)Nc2ccccc21
InChIInChI=1S/C22H18ClNO2/c23-18-12-16(10-11-22(18)26-14-15-6-2-1-3-7-15)20-13-21(25)17-8-4-5-9-19(17)24-20/h1-12,20,24H,13-14H2
InChIKeyFRLQRVMEIBPDOR-UHFFFAOYSA-N
XLogP5.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110539671
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110538069
2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
2-(3-chloro-4-phenylmethoxyphenyl)aniline
CID 145161607
2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide
CID 110532677
(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
CID 82550709
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 28773010
2-(3-chloro-4-prop-2-enoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 75419407
ethyl 4-(3-chloro-4-phenylmethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846020
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one (CID 110534841) is 2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one is O=C1CC(c2ccc(OCc3ccccc3)c(Cl)c2)Nc2ccccc21.
What is the InChIKey of 2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is FRLQRVMEIBPDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c23-18-12-16(10-11-22(18)26-14-15-6-2-1-3-7-15)20-13-21(25)17-8-4-5-9-19(17)24-20/h1-12,20,24H,13-14H2.
What are the key properties of 2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 363.84 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 110534841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).