7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide

C17H12ClN5O3 — CID 29140929

IUPAC7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1n[nH]n2c1nc(=O)c1cc(Cl)ccc12
InChIInChI=1S/C17H12ClN5O3/c1-26-13-5-3-2-4-11(13)19-17(25)14-15-20-16(24)10-8-9(18)6-7-12(10)23(15)22-21-14/h2-8,22H,1H3,(H,19,25)
InChIKeyCZDJLOILVXQUEL-UHFFFAOYSA-N
MW369.77 g/mol
LogP2.49
Rot. Bonds3

About 7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide

7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 29140929) has the molecular formula C17H12ClN5O3 and a molecular weight of 369.77 g/mol. Its IUPAC name is 7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID29140929
Molecular FormulaC17H12ClN5O3
Molecular Weight369.77 g/mol
Exact Mass369.06
IUPAC Name7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1n[nH]n2c1nc(=O)c1cc(Cl)ccc12
InChIInChI=1S/C17H12ClN5O3/c1-26-13-5-3-2-4-11(13)19-17(25)14-15-20-16(24)10-8-9(18)6-7-12(10)23(15)22-21-14/h2-8,22H,1H3,(H,19,25)
InChIKeyCZDJLOILVXQUEL-UHFFFAOYSA-N
XLogP2.49
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
CID 29139488
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CID 137314264
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
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6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide
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N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519
N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702587
7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one
CID 22424585
N-(2-methoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691757
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
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1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 1481276
N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
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N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3490690

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide (CID 29140929) is 7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide is COc1ccccc1NC(=O)c1n[nH]n2c1nc(=O)c1cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is CZDJLOILVXQUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O3/c1-26-13-5-3-2-4-11(13)19-17(25)14-15-20-16(24)10-8-9(18)6-7-12(10)23(15)22-21-14/h2-8,22H,1H3,(H,19,25).
What are the key properties of 7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 369.77 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 29140929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).