N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide

C29H24ClN7O — CID 23388870

IUPACN-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(C)c1)cc1nnnn12)c1cncn1C
InChIInChI=1S/C29H24ClN7O/c1-18-5-4-6-20(13-18)24-15-28-33-34-35-37(28)26-12-9-22(14-25(24)26)29(32-19(2)38,27-16-31-17-36(27)3)21-7-10-23(30)11-8-21/h4-17H,1-3H3,(H,32,38)
InChIKeyWDSDJEDJIICYCI-UHFFFAOYSA-N
MW522.01 g/mol
LogP5.07
Rot. Bonds5

About N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide

N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide (PubChem CID 23388870) has the molecular formula C29H24ClN7O and a molecular weight of 522.01 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide
PubChem CID23388870
Molecular FormulaC29H24ClN7O
Molecular Weight522.01 g/mol
Exact Mass521.17
IUPAC NameN-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(C)c1)cc1nnnn12)c1cncn1C
InChIInChI=1S/C29H24ClN7O/c1-18-5-4-6-20(13-18)24-15-28-33-34-35-37(28)26-12-9-22(14-25(24)26)29(32-19(2)38,27-16-31-17-36(27)3)21-7-10-23(30)11-8-21/h4-17H,1-3H3,(H,32,38)
InChIKeyWDSDJEDJIICYCI-UHFFFAOYSA-N
XLogP5.07
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.01
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide 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

(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 23388873
N-[(2-chloro-4-fluorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]acetamide
CID 23388904
1-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]-3-(1-naphthalen-1-ylethyl)urea
CID 23388883
N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine
CID 23388867
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol
CID 10300971
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 58722270
7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)imidazo[1,2-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 158101460
(3-methylimidazol-4-yl)-(4-methylphenyl)-[5-[2-(3-methylphenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 142150124
4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 11592576
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
1-[6-[hydroxy-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)quinolin-2-yl]-3-phenylurea
CID 142129113
5-[(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]-N,1-dimethylimidazol-2-amine
CID 23388990

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide (CID 23388870) is N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide is CC(=O)NC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(C)c1)cc1nnnn12)c1cncn1C.
What is the InChIKey of N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide?
The InChIKey is WDSDJEDJIICYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN7O/c1-18-5-4-6-20(13-18)24-15-28-33-34-35-37(28)26-12-9-22(14-25(24)26)29(32-19(2)38,27-16-31-17-36(27)3)21-7-10-23(30)11-8-21/h4-17H,1-3H3,(H,32,38).
What are the key properties of N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide?
N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide has a molecular weight of 522.01 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methyl]acetamide is sourced from PubChem (CID 23388870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).