3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one

C17H12ClN5O — CID 1210239

IUPAC3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one
SMILESCn1cc(-c2nnnn2-c2ccc(Cl)cc2)c(=O)c2ccccc21
InChIInChI=1S/C17H12ClN5O/c1-22-10-14(16(24)13-4-2-3-5-15(13)22)17-19-20-21-23(17)12-8-6-11(18)7-9-12/h2-10H,1H3
InChIKeyLKXFEAKPCBODPU-UHFFFAOYSA-N
MW337.77 g/mol
LogP2.83
Rot. Bonds2

About 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one

3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one (PubChem CID 1210239) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one
PubChem CID1210239
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one
SMILESCn1cc(-c2nnnn2-c2ccc(Cl)cc2)c(=O)c2ccccc21
InChIInChI=1S/C17H12ClN5O/c1-22-10-14(16(24)13-4-2-3-5-15(13)22)17-19-20-21-23(17)12-8-6-11(18)7-9-12/h2-10H,1H3
InChIKeyLKXFEAKPCBODPU-UHFFFAOYSA-N
XLogP2.83
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2825454
CID 2825454
CID 2825456
CID 2825456
CID 2825459
CID 2825459
CID 12246016
CID 12246016
CID 822915
CID 822915
CID 1046867
CID 1046867
CID 2729594
CID 2729594
CID 6273136
CID 6273136
CID 1208121
CID 1208121
CID 1046866
CID 1046866
CID 2818117
CID 2818117
CID 5834748
CID 5834748

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one?
The IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one (CID 1210239) is 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one.
What is the SMILES notation for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one?
The canonical SMILES for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one is Cn1cc(-c2nnnn2-c2ccc(Cl)cc2)c(=O)c2ccccc21.
What is the InChIKey of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one?
The InChIKey is LKXFEAKPCBODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c1-22-10-14(16(24)13-4-2-3-5-15(13)22)17-19-20-21-23(17)12-8-6-11(18)7-9-12/h2-10H,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one?
3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one has a molecular weight of 337.77 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-methylquinolin-4-one is sourced from PubChem (CID 1210239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).