(6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C21H20ClN3O2 — CID 41337289

IUPAC(6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C21H20ClN3O2/c1-14-17(13-15-12-16(22)6-7-18(15)23-14)21(27)25-10-8-24(9-11-25)19-4-2-3-5-20(19)26/h2-7,12-13,26H,8-11H2,1H3
InChIKeyPIMGOJCPUKNYES-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.86
Rot. Bonds2

About (6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

(6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 41337289) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is (6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID41337289
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name(6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C21H20ClN3O2/c1-14-17(13-15-12-16(22)6-7-18(15)23-14)21(27)25-10-8-24(9-11-25)19-4-2-3-5-20(19)26/h2-7,12-13,26H,8-11H2,1H3
InChIKeyPIMGOJCPUKNYES-UHFFFAOYSA-N
XLogP3.86
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-chloro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413333
(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46536259
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 31901098
[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55662060
1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808313
N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455742
(6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 92628216
4-[4-(6-chloro-2-methylquinoline-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 41447194
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
(2-methylquinolin-3-yl)-morpholin-4-ylmethanone
CID 110489563

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 41337289) is (6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is PIMGOJCPUKNYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-17(13-15-12-16(22)6-7-18(15)23-14)21(27)25-10-8-24(9-11-25)19-4-2-3-5-20(19)26/h2-7,12-13,26H,8-11H2,1H3.
What are the key properties of (6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
(6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 381.86 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 41337289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).