(6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

C24H23ClN4O — CID 92628216

IUPAC(6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@@H](c2nc3ccccc3n2C)C1
InChIInChI=1S/C24H23ClN4O/c1-15-19(13-17-12-18(25)9-10-20(17)26-15)24(30)29-11-5-6-16(14-29)23-27-21-7-3-4-8-22(21)28(23)2/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3/t16-/m1/s1
InChIKeyWKFVGBGBSGKATB-MRXNPFEDSA-N
MW418.93 g/mol
LogP5.10
Rot. Bonds2

About (6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

(6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 92628216) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is (6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID92628216
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name(6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@@H](c2nc3ccccc3n2C)C1
InChIInChI=1S/C24H23ClN4O/c1-15-19(13-17-12-18(25)9-10-20(17)26-15)24(30)29-11-5-6-16(14-29)23-27-21-7-3-4-8-22(21)28(23)2/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3/t16-/m1/s1
InChIKeyWKFVGBGBSGKATB-MRXNPFEDSA-N
XLogP5.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
(2-chloro-5-pyrazol-1-ylphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975354
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55662060
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 46975714
[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92628235

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 92628216) is (6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@@H](c2nc3ccccc3n2C)C1.
What is the InChIKey of (6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is WKFVGBGBSGKATB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23ClN4O/c1-15-19(13-17-12-18(25)9-10-20(17)26-15)24(30)29-11-5-6-16(14-29)23-27-21-7-3-4-8-22(21)28(23)2/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
(6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 418.93 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92628216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).