1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide

C21H25N5O2 — CID 167990386

IUPAC1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide
SMILESCc1cc2cc(NC(=O)c3nnn(CC4CCCC4)c3C)ccc2n(C)c1=O
InChIInChI=1S/C21H25N5O2/c1-13-10-16-11-17(8-9-18(16)25(3)21(13)28)22-20(27)19-14(2)26(24-23-19)12-15-6-4-5-7-15/h8-11,15H,4-7,12H2,1-3H3,(H,22,27)
InChIKeyQIBNSRKZIHLFKK-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.19
Rot. Bonds4

About 1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide

1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide (PubChem CID 167990386) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide
PubChem CID167990386
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide
SMILESCc1cc2cc(NC(=O)c3nnn(CC4CCCC4)c3C)ccc2n(C)c1=O
InChIInChI=1S/C21H25N5O2/c1-13-10-16-11-17(8-9-18(16)25(3)21(13)28)22-20(27)19-14(2)26(24-23-19)12-15-6-4-5-7-15/h8-11,15H,4-7,12H2,1-3H3,(H,22,27)
InChIKeyQIBNSRKZIHLFKK-UHFFFAOYSA-N
XLogP3.19
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide (CID 167990386) is 1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide is Cc1cc2cc(NC(=O)c3nnn(CC4CCCC4)c3C)ccc2n(C)c1=O.
What is the InChIKey of 1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide?
The InChIKey is QIBNSRKZIHLFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-10-16-11-17(8-9-18(16)25(3)21(13)28)22-20(27)19-14(2)26(24-23-19)12-15-6-4-5-7-15/h8-11,15H,4-7,12H2,1-3H3,(H,22,27).
What are the key properties of 1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide?
1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 167990386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).