2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one

C17H13ClN6O — CID 135886871

IUPAC2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClN6O/c1-10(15-19-14-5-3-2-4-13(14)17(25)20-15)24-22-16(21-23-24)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,19,20,25)
InChIKeyHRCOSWRPZATPBJ-UHFFFAOYSA-N
MW352.79 g/mol
LogP2.84
Rot. Bonds3

About 2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one

2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one (PubChem CID 135886871) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is 2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one
PubChem CID135886871
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClN6O/c1-10(15-19-14-5-3-2-4-13(14)17(25)20-15)24-22-16(21-23-24)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,19,20,25)
InChIKeyHRCOSWRPZATPBJ-UHFFFAOYSA-N
XLogP2.84
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one
CID 135893388
2-[(1R)-1-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135744526
2-[1-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136527132
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612968
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
2-[(1R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3H-quinazolin-4-one
CID 136733854
4-oxo-3-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]phthalazine-1-carboxylic acid
CID 135819550
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 135612866
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135620653
5-(furan-2-yl)-2-[1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 55470379

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one (CID 135886871) is 2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one is CC(c1nc2ccccc2c(=O)[nH]1)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one?
The InChIKey is HRCOSWRPZATPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c1-10(15-19-14-5-3-2-4-13(14)17(25)20-15)24-22-16(21-23-24)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,19,20,25).
What are the key properties of 2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one?
2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one has a molecular weight of 352.79 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135886871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).