2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one

C19H18ClN5O — CID 132655088

IUPAC2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one
SMILESCN1C(=O)c2ccccc2N(C)C1c1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C19H18ClN5O/c1-23-17-10-6-4-8-14(17)19(26)24(2)18(23)16-12-25(22-21-16)11-13-7-3-5-9-15(13)20/h3-10,12,18H,11H2,1-2H3
InChIKeyPUBCEJXKOOMMOD-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.20
Rot. Bonds3

About 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one

2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one (PubChem CID 132655088) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one
PubChem CID132655088
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one
SMILESCN1C(=O)c2ccccc2N(C)C1c1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C19H18ClN5O/c1-23-17-10-6-4-8-14(17)19(26)24(2)18(23)16-12-25(22-21-16)11-13-7-3-5-9-15(13)20/h3-10,12,18H,11H2,1-2H3
InChIKeyPUBCEJXKOOMMOD-UHFFFAOYSA-N
XLogP3.20
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(1,3-dimethyl-4-oxo-2H-quinazolin-2-yl)triazol-1-yl]methyl]benzonitrile
CID 132653994
2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121405
(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964457
(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one
CID 99965132
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 139019578
1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide
CID 26391382
2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132652150
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99966302
4-(2-bromoethyl)-1-[(2-chlorophenyl)methyl]triazole
CID 62393715
1-[(2-chlorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]triazole-4-carboxamide
CID 42359128
2-[bis[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]amino]-6-bromobenzo[de]isoquinoline-1,3-dione;tetrahydrochloride
CID 90664876

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one (CID 132655088) is 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one is CN1C(=O)c2ccccc2N(C)C1c1cn(Cc2ccccc2Cl)nn1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one?
The InChIKey is PUBCEJXKOOMMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-23-17-10-6-4-8-14(17)19(26)24(2)18(23)16-12-25(22-21-16)11-13-7-3-5-9-15(13)20/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one?
2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one has a molecular weight of 367.84 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one is sourced from PubChem (CID 132655088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).