4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one

C17H19N5O3 — CID 166360534

IUPAC4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)N(C(=O)c1cn(C3CCCC3)nn1)CC(=O)N2
InChIInChI=1S/C17H19N5O3/c1-25-12-6-7-13-15(8-12)21(10-16(23)18-13)17(24)14-9-22(20-19-14)11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,18,23)
InChIKeyWJABOXLOLHQYAB-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.00
Rot. Bonds3

About 4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one

4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one (PubChem CID 166360534) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one
PubChem CID166360534
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)N(C(=O)c1cn(C3CCCC3)nn1)CC(=O)N2
InChIInChI=1S/C17H19N5O3/c1-25-12-6-7-13-15(8-12)21(10-16(23)18-13)17(24)14-9-22(20-19-14)11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,18,23)
InChIKeyWJABOXLOLHQYAB-UHFFFAOYSA-N
XLogP2.00
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-cyclohexyltriazol-4-yl)-[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25311591
(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119727463
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 42190508
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119889132
(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119699792
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119783381
7-methoxy-5-prop-2-enoyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 139015344
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one (CID 166360534) is 4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one is COc1ccc2c(c1)N(C(=O)c1cn(C3CCCC3)nn1)CC(=O)N2.
What is the InChIKey of 4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one?
The InChIKey is WJABOXLOLHQYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-25-12-6-7-13-15(8-12)21(10-16(23)18-13)17(24)14-9-22(20-19-14)11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,18,23).
What are the key properties of 4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one?
4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one has a molecular weight of 341.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 166360534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).