N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide

C21H19N5O2 — CID 50757527

IUPACN-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(=O)nc3c(-c4ccccc4)n[nH]n3c2c1
InChIInChI=1S/C21H19N5O2/c27-20(22-15-8-4-5-9-15)14-10-11-16-17(12-14)26-19(23-21(16)28)18(24-25-26)13-6-2-1-3-7-13/h1-3,6-7,10-12,15,25H,4-5,8-9H2,(H,22,27)
InChIKeyYHRIZHXVQUEFSC-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.91
Rot. Bonds3

About N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide

N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 50757527) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide
PubChem CID50757527
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(=O)nc3c(-c4ccccc4)n[nH]n3c2c1
InChIInChI=1S/C21H19N5O2/c27-20(22-15-8-4-5-9-15)14-10-11-16-17(12-14)26-19(23-21(16)28)18(24-25-26)13-6-2-1-3-7-13/h1-3,6-7,10-12,15,25H,4-5,8-9H2,(H,22,27)
InChIKeyYHRIZHXVQUEFSC-UHFFFAOYSA-N
XLogP2.91
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757519
3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 45498841
N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757462
3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide
CID 53052510
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
N-cyclopentyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973288
N-cyclopentyl-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 3236343
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 22425034
N-cyclobutyl-5-hydroxynaphthalene-2-carboxamide
CID 172677591
N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide
CID 53052465
N-cyclopentyl-1,5-dioxo-2-phenacyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775019

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The IUPAC name of N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 50757527) is N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The canonical SMILES for N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide is O=C(NC1CCCC1)c1ccc2c(=O)nc3c(-c4ccccc4)n[nH]n3c2c1.
What is the InChIKey of N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The InChIKey is YHRIZHXVQUEFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-20(22-15-8-4-5-9-15)14-10-11-16-17(12-14)26-19(23-21(16)28)18(24-25-26)13-6-2-1-3-7-13/h1-3,6-7,10-12,15,25H,4-5,8-9H2,(H,22,27).
What are the key properties of N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50757527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).