7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one

C19H16ClNO3 — CID 54710924

IUPAC7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one
SMILESC=C(C)COc1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1
InChIInChI=1S/C19H16ClNO3/c1-11(2)10-24-14-5-3-4-12(8-14)17-18(22)15-7-6-13(20)9-16(15)21-19(17)23/h3-9H,1,10H2,2H3,(H2,21,22,23)
InChIKeyBWFLFWCJICIGDQ-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.51
Rot. Bonds4

About 7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one

7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one (PubChem CID 54710924) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one
PubChem CID54710924
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one
SMILESC=C(C)COc1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1
InChIInChI=1S/C19H16ClNO3/c1-11(2)10-24-14-5-3-4-12(8-14)17-18(22)15-7-6-13(20)9-16(15)21-19(17)23/h3-9H,1,10H2,2H3,(H2,21,22,23)
InChIKeyBWFLFWCJICIGDQ-UHFFFAOYSA-N
XLogP4.51
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Chloro-4-hydroxy-3-(3-phenoxyphenyl)-2(1H)-quinolinone
CID 54682505
7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-2(1H)-Quinolinone
CID 54679302
7-Chloro-4-hydroxy-3-[3-(4-methoxymethoxy-benzyl)-phenyl]-1H-quinolin-2-one
CID 54678940
7-chloro-4-hydroxy-3-(3-methoxyphenyl)-2(1H)-quinolone
CID 54685508
2QUINOLONE4HYDROXY7CHLORO3-p-MeO-BzPh
CID 54689452
3-[(3-chlorophenyl)amino]-4-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539461
4-Chloro-2-{[(4-methoxyphenyl)acetyl]amino}benzoic acid
CID 839406
7-chloro-5-ethyl-4-hydroxy-3-(3-methoxyphenyl)-1H-quinolin-2-one
CID 54728653
4-Chloro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 1254149
4-Amino-7-chloro-3-(3-phenoxy-phenyl)-1H-quinolin-2-one
CID 10713713
[7-Chloro-2-oxo-3-(3-phenoxy-phenyl)-1,2-dihydro-quinolin-4-yloxy]-acetic acid
CID 11796465
7-Chloro-4-hydroxy-3-[3-(thiophen-3-yloxy)-phenyl]-1H-quinolin-2-one
CID 54678923

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one (CID 54710924) is 7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one is C=C(C)COc1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one?
The InChIKey is BWFLFWCJICIGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-11(2)10-24-14-5-3-4-12(8-14)17-18(22)15-7-6-13(20)9-16(15)21-19(17)23/h3-9H,1,10H2,2H3,(H2,21,22,23).
What are the key properties of 7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one has a molecular weight of 341.79 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54710924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).