(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone

C23H13Cl2N3O — CID 23388862

IUPAC(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nncn12
InChIInChI=1S/C23H13Cl2N3O/c24-17-7-4-14(5-8-17)23(29)16-6-9-21-20(11-16)19(12-22-27-26-13-28(21)22)15-2-1-3-18(25)10-15/h1-13H
InChIKeyJXZRMLJNBNBGMK-UHFFFAOYSA-N
MW418.28 g/mol
LogP6.09
Rot. Bonds3

About (4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone

(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone (PubChem CID 23388862) has the molecular formula C23H13Cl2N3O and a molecular weight of 418.28 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone
PubChem CID23388862
Molecular FormulaC23H13Cl2N3O
Molecular Weight418.28 g/mol
Exact Mass417.04
IUPAC Name(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nncn12
InChIInChI=1S/C23H13Cl2N3O/c24-17-7-4-14(5-8-17)23(29)16-6-9-21-20(11-16)19(12-22-27-26-13-28(21)22)15-2-1-3-18(25)10-15/h1-13H
InChIKeyJXZRMLJNBNBGMK-UHFFFAOYSA-N
XLogP6.09
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.28
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 11452553
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
CID 18379023
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
CID 70610303
(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone
CID 22136492
6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one
CID 101359142
7-chloro-5-phenylimidazo[1,2-a]quinoline
CID 14357903
3-(3-chlorophenyl)-1-methylindole-6-carboxylic acid
CID 170838816
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
[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 25265551
ethyl 2-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxoquinolin-1-yl]acetate
CID 58799332
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one
CID 68689459

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone (CID 23388862) is (4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone is O=C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nncn12.
What is the InChIKey of (4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone?
The InChIKey is JXZRMLJNBNBGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2N3O/c24-17-7-4-14(5-8-17)23(29)16-6-9-21-20(11-16)19(12-22-27-26-13-28(21)22)15-2-1-3-18(25)10-15/h1-13H.
What are the key properties of (4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone?
(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone has a molecular weight of 418.28 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone is sourced from PubChem (CID 23388862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).