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

C24H20ClNO4 — CID 54678940

IUPAC7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one
SMILESCOCOc1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1
InChIInChI=1S/C24H20ClNO4/c1-29-14-30-19-8-5-15(6-9-19)11-16-3-2-4-17(12-16)22-23(27)20-10-7-18(25)13-21(20)26-24(22)28/h2-10,12-13H,11,14H2,1H3,(H2,26,27,28)
InChIKeyJNVNXHMNESKCEC-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.13
Rot. Bonds6

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

7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one (PubChem CID 54678940) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one
PubChem CID54678940
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Name7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one
SMILESCOCOc1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1
InChIInChI=1S/C24H20ClNO4/c1-29-14-30-19-8-5-15(6-9-19)11-16-3-2-4-17(12-16)22-23(27)20-10-7-18(25)13-21(20)26-24(22)28/h2-10,12-13H,11,14H2,1H3,(H2,26,27,28)
InChIKeyJNVNXHMNESKCEC-UHFFFAOYSA-N
XLogP5.13
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-methoxyphenyl)-2(1H)-quinolone
CID 54685508
2QUINOLONE4HYDROXY7CHLORO3-p-MeO-BzPh
CID 54689452
4-Chloro-2-{[(4-methoxyphenyl)acetyl]amino}benzoic acid
CID 839406
4-Hydroxy-7-chloroquinolone,3-(3-acetyl-4-hydrox
CID 54717341
4-Chloro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 1254149
7-chloro-4-hydroxy-3-[3-(2-methylphenoxy)phenyl]-1H-quinolin-2-one
CID 54682999
3-(3-benzyloxyphenyl)-7-chloro-4-hydroxy-2(1H)-quinolone
CID 54684562
3-(3-benzylphenyl)-7-chloro-4-hydroxy-2(1H)-quinolone
CID 54699137
Fasn mrk
CID 54706679
7-Chloro-4-hydroxy-3-(4-methoxyphenyl)quinolin-2(1H)-one
CID 54710481

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one (CID 54678940) is 7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one is COCOc1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one?
The InChIKey is JNVNXHMNESKCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO4/c1-29-14-30-19-8-5-15(6-9-19)11-16-3-2-4-17(12-16)22-23(27)20-10-7-18(25)13-21(20)26-24(22)28/h2-10,12-13H,11,14H2,1H3,(H2,26,27,28).
What are the key properties of 7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one has a molecular weight of 421.88 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-[3-[[4-(methoxymethoxy)phenyl]methyl]phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54678940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).