(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone

C15H16ClN3O — CID 82449120

IUPAC(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCNCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H16ClN3O/c1-10-8-13(15(20)19-6-4-17-5-7-19)12-9-11(16)2-3-14(12)18-10/h2-3,8-9,17H,4-7H2,1H3
InChIKeyAEDXHORKKYXBCH-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.24
Rot. Bonds1

About (6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone

(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone (PubChem CID 82449120) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
PubChem CID82449120
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCNCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H16ClN3O/c1-10-8-13(15(20)19-6-4-17-5-7-19)12-9-11(16)2-3-14(12)18-10/h2-3,8-9,17H,4-7H2,1H3
InChIKeyAEDXHORKKYXBCH-UHFFFAOYSA-N
XLogP2.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72911039
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106
(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119579132
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 82277575
2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138810347
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
[(2R)-2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 97433787
[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 72838827
(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97138571

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone (CID 82449120) is (6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone is Cc1cc(C(=O)N2CCNCC2)c2cc(Cl)ccc2n1.
What is the InChIKey of (6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone?
The InChIKey is AEDXHORKKYXBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-8-13(15(20)19-6-4-17-5-7-19)12-9-11(16)2-3-14(12)18-10/h2-3,8-9,17H,4-7H2,1H3.
What are the key properties of (6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone?
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone has a molecular weight of 289.77 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82449120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).