7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide

C20H18N6O3S — CID 118950058

IUPAC7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide
SMILESCc1c(C(=O)NC2(C)N=NN=N2)cc2cccnc2c1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H18N6O3S/c1-12-16(19(27)22-20(2)23-25-26-24-20)11-14-5-4-10-21-18(14)17(12)13-6-8-15(9-7-13)30(3,28)29/h4-11H,1-3H3,(H,22,27)
InChIKeyVYJVKWIZKWVJHF-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.85
Rot. Bonds4

About 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide

7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide (PubChem CID 118950058) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide.

Molecular Properties

Compound Name7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide
PubChem CID118950058
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC Name7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide
SMILESCc1c(C(=O)NC2(C)N=NN=N2)cc2cccnc2c1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H18N6O3S/c1-12-16(19(27)22-20(2)23-25-26-24-20)11-14-5-4-10-21-18(14)17(12)13-6-8-15(9-7-13)30(3,28)29/h4-11H,1-3H3,(H,22,27)
InChIKeyVYJVKWIZKWVJHF-UHFFFAOYSA-N
XLogP3.85
TPSA125.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide 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

7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid
CID 118950405
N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide
CID 164511155
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 18144324
[2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate
CID 71900631
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281
8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid
CID 150999301
6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide
CID 131962943
ethane;6-methylsulfonylquinoline
CID 156875641
1-[(2S)-2-methyl-6-(4-methylsulfonylphenyl)-4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079753
3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 18093536
7-amino-8-(3-hydroxy-2-methylphenyl)quinoline-6-carboxamide
CID 171645303

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide?
The IUPAC name of 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide (CID 118950058) is 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide.
What is the SMILES notation for 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide?
The canonical SMILES for 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide is Cc1c(C(=O)NC2(C)N=NN=N2)cc2cccnc2c1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide?
The InChIKey is VYJVKWIZKWVJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-12-16(19(27)22-20(2)23-25-26-24-20)11-14-5-4-10-21-18(14)17(12)13-6-8-15(9-7-13)30(3,28)29/h4-11H,1-3H3,(H,22,27).
What are the key properties of 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide?
7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide is sourced from PubChem (CID 118950058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).