4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C20H16ClNO3 — CID 2882925

IUPAC4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESCOc1cc(C2CC(=O)Nc3c2ccc2ccccc32)cc(Cl)c1O
InChIInChI=1S/C20H16ClNO3/c1-25-17-9-12(8-16(21)20(17)24)15-10-18(23)22-19-13-5-3-2-4-11(13)6-7-14(15)19/h2-9,15,24H,10H2,1H3,(H,22,23)
InChIKeyLCLGHPLLJWGEMX-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.68
Rot. Bonds2

About 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 2882925) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID2882925
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESCOc1cc(C2CC(=O)Nc3c2ccc2ccccc32)cc(Cl)c1O
InChIInChI=1S/C20H16ClNO3/c1-25-17-9-12(8-16(21)20(17)24)15-10-18(23)22-19-13-5-3-2-4-11(13)6-7-14(15)19/h2-9,15,24H,10H2,1H3,(H,22,23)
InChIKeyLCLGHPLLJWGEMX-UHFFFAOYSA-N
XLogP4.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one with MolForge

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Related Compounds

[2,6-dimethoxy-4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]phenyl] acetate
CID 1123360
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1117589
4-(3-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2992745
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 721560
4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2879509
methyl 4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]benzoate
CID 803008
ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 143519859
4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 633987
4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3115454
(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1268646
4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 59140319

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 2882925) is 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is COc1cc(C2CC(=O)Nc3c2ccc2ccccc32)cc(Cl)c1O.
What is the InChIKey of 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is LCLGHPLLJWGEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-25-17-9-12(8-16(21)20(17)24)15-10-18(23)22-19-13-5-3-2-4-11(13)6-7-14(15)19/h2-9,15,24H,10H2,1H3,(H,22,23).
What are the key properties of 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 353.81 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 2882925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).