5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline

C17H13ClN4O — CID 42864317

IUPAC5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCOc1ccccc1-c1nnc2c3cc(C)ccc3nc(Cl)n12
InChIInChI=1S/C17H13ClN4O/c1-10-7-8-13-12(9-10)16-21-20-15(22(16)17(18)19-13)11-5-3-4-6-14(11)23-2/h3-9H,1-2H3
InChIKeyNTMAUXAKDRWQTA-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.91
Rot. Bonds2

About 5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline

5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 42864317) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID42864317
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCOc1ccccc1-c1nnc2c3cc(C)ccc3nc(Cl)n12
InChIInChI=1S/C17H13ClN4O/c1-10-7-8-13-12(9-10)16-21-20-15(22(16)17(18)19-13)11-5-3-4-6-14(11)23-2/h3-9H,1-2H3
InChIKeyNTMAUXAKDRWQTA-UHFFFAOYSA-N
XLogP3.91
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-(2-methoxyphenyl)-N,9-dimethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063412
5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 21405154
8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864387
9-chloro-2,3-dimethoxy-7-methylacridine
CID 19749412
2,4-dimethoxy-6-methylquinoline
CID 5326166
N'-[3-(2-fluorophenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-methylethane-1,2-diamine
CID 42864529
4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline
CID 62504381
N-benzyl-3-(4-methoxyphenyl)-N,9-dimethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063466
N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063348
6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327050
6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one
CID 143174772
7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46199931

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline (CID 42864317) is 5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline is COc1ccccc1-c1nnc2c3cc(C)ccc3nc(Cl)n12.
What is the InChIKey of 5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is NTMAUXAKDRWQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-10-7-8-13-12(9-10)16-21-20-15(22(16)17(18)19-13)11-5-3-4-6-14(11)23-2/h3-9H,1-2H3.
What are the key properties of 5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 324.77 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 42864317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).