4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one

C20H18ClN3O2 — CID 122164736

IUPAC4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)N(Cc1ccc(Cl)cc1)CC(=O)N2
InChIInChI=1S/C20H18ClN3O2/c1-12-20(13(2)26-23-12)15-5-8-17-18(9-15)24(11-19(25)22-17)10-14-3-6-16(21)7-4-14/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyNRXRQTLJYNSLMD-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.57
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one

4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 122164736) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID122164736
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)N(Cc1ccc(Cl)cc1)CC(=O)N2
InChIInChI=1S/C20H18ClN3O2/c1-12-20(13(2)26-23-12)15-5-8-17-18(9-15)24(11-19(25)22-17)10-14-3-6-16(21)7-4-14/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyNRXRQTLJYNSLMD-UHFFFAOYSA-N
XLogP4.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

(R)-4-benzyl-6-(3,5-dimethylisoxazol-4-yl)-3-ethyl-3,4-dihydroquinoxalin-2(1H)-one (5i)
CID 122164734
(R)-6-(3,5-dimethylisoxazol-4-yl)-4-(4-methoxybenzyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one (8)
CID 122164732
(R)-3,4-dibenzyl-6-(3,5-dimethylisoxazol-4-yl)-3,4-dihydroquinoxalin-2(1H)-one (5j)
CID 122164735
4(R)-4-cyclopentyl-6-(3,5-dimethylisoxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin 2(1H)-one (5
CID 123131593
4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-quinolin-2-one
CID 121342355
(3R)-4-cyclopentyl-1,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3H-quinoxalin-2-one
CID 146322225
1(R)-4-benzyl-6-(3,5-dimethylisoxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (5a)
CID 122164729
2(R)-6-(3,5-dimethylisoxazol-4-yl)-4-(4-methoxybenzyl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (5b)
CID 122164730
4(R)-4-cyclopentyl-6-(3,5-dimethylisoxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (5d)
CID 122164731
8(R)-4-benzyl-6-(3,5-dimethylisoxazol-4-yl)-3-(hydroxymethyl)-3,4-dihydroquinoxalin-2(1H)-one (5h)
CID 122164733
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 70689582
4-Benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one
CID 168297822

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one (CID 122164736) is 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one is Cc1noc(C)c1-c1ccc2c(c1)N(Cc1ccc(Cl)cc1)CC(=O)N2.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is NRXRQTLJYNSLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-20(13(2)26-23-12)15-5-8-17-18(9-15)24(11-19(25)22-17)10-14-3-6-16(21)7-4-14/h3-9H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one?
4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 367.84 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 122164736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).