3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

C19H14ClN5O2 — CID 45498841

IUPAC3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(=O)nc3c(-c4ccc(Cl)cc4)n[nH]n3c2c1
InChIInChI=1S/C19H14ClN5O2/c20-12-4-1-10(2-5-12)16-17-22-19(27)14-8-3-11(18(26)21-13-6-7-13)9-15(14)25(17)24-23-16/h1-5,8-9,13,24H,6-7H2,(H,21,26)
InChIKeyWKLYVKWGHHQGOI-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.78
Rot. Bonds3

About 3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 45498841) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
PubChem CID45498841
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(=O)nc3c(-c4ccc(Cl)cc4)n[nH]n3c2c1
InChIInChI=1S/C19H14ClN5O2/c20-12-4-1-10(2-5-12)16-17-22-19(27)14-8-3-11(18(26)21-13-6-7-13)9-15(14)25(17)24-23-16/h1-5,8-9,13,24H,6-7H2,(H,21,26)
InChIKeyWKLYVKWGHHQGOI-UHFFFAOYSA-N
XLogP2.78
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757462
N-cyclopentyl-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757527
N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757519
N-[2-(4-chlorophenyl)ethyl]-3-(3-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757505
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848510
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
8-bromo-2,3-bis(4-chlorophenyl)-N-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide
CID 24742969
3-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3282553
8-chloro-2,3-bis(4-chlorophenyl)-N-cyclobutylimidazo[1,2-a]pyridine-6-carboxamide
CID 91478577
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
CID 11660998
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
CID 53034337
N-cyclopropyl-4-methyl-3-(1-oxo-2-prop-2-enylisoquinolin-6-yl)benzamide
CID 25020456

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 45498841) is 3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is O=C(NC1CC1)c1ccc2c(=O)nc3c(-c4ccc(Cl)cc4)n[nH]n3c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The InChIKey is WKLYVKWGHHQGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-12-4-1-10(2-5-12)16-17-22-19(27)14-8-3-11(18(26)21-13-6-7-13)9-15(14)25(17)24-23-16/h1-5,8-9,13,24H,6-7H2,(H,21,26).
What are the key properties of 3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 379.81 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-cyclopropyl-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 45498841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).