benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate

C24H20ClNO4 — CID 34177913

IUPACbenzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate
SMILESCOc1ccc([C@H]2CC(=O)c3cc(Cl)ccc3N2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H20ClNO4/c1-29-19-10-7-17(8-11-19)22-14-23(27)20-13-18(25)9-12-21(20)26(22)24(28)30-15-16-5-3-2-4-6-16/h2-13,22H,14-15H2,1H3/t22-/m1/s1
InChIKeyBNQLMWIREBQSNF-JOCHJYFZSA-N
MW421.88 g/mol
LogP5.82
Rot. Bonds4

About benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate

benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate (PubChem CID 34177913) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate
PubChem CID34177913
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Namebenzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate
SMILESCOc1ccc([C@H]2CC(=O)c3cc(Cl)ccc3N2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H20ClNO4/c1-29-19-10-7-17(8-11-19)22-14-23(27)20-13-18(25)9-12-21(20)26(22)24(28)30-15-16-5-3-2-4-6-16/h2-13,22H,14-15H2,1H3/t22-/m1/s1
InChIKeyBNQLMWIREBQSNF-JOCHJYFZSA-N
XLogP5.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
benzyl 7-bromo-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590252
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18886967
benzyl (2R,5R)-2-(4-methoxyphenyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 102084081
benzyl (2R,5S)-2-(4-methoxyphenyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 102084082
benzyl 8-bromo-2-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589940
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 137320135
benzyl 3-(4-methoxyphenyl)azepane-1-carboxylate
CID 121147148
benzyl 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 71768429
benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate
CID 166438404
benzyl (5S)-3-(4-chlorophenyl)-5-hydroxy-5-methyl-1,2-oxazolidine-2-carboxylate
CID 135007078
dibenzyl (1S,5R)-3-[(4-methoxyphenyl)methyl]-3,6,7-triazabicyclo[3.2.1]octane-6,7-dicarboxylate
CID 73057854

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The IUPAC name of benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate (CID 34177913) is benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate.
What is the SMILES notation for benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The canonical SMILES for benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate is COc1ccc([C@H]2CC(=O)c3cc(Cl)ccc3N2C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The InChIKey is BNQLMWIREBQSNF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20ClNO4/c1-29-19-10-7-17(8-11-19)22-14-23(27)20-13-18(25)9-12-21(20)26(22)24(28)30-15-16-5-3-2-4-6-16/h2-13,22H,14-15H2,1H3/t22-/m1/s1.
What are the key properties of benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate?
benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate has a molecular weight of 421.88 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 34177913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).