[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone

C17H20ClN3O — CID 72838827

IUPAC[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCCC2CN)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H20ClN3O/c1-11-8-15(14-9-12(18)5-6-16(14)20-11)17(22)21-7-3-2-4-13(21)10-19/h5-6,8-9,13H,2-4,7,10,19H2,1H3
InChIKeyHYOYIGDKYFEXMR-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.15
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone

[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone (PubChem CID 72838827) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
PubChem CID72838827
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCCC2CN)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H20ClN3O/c1-11-8-15(14-9-12(18)5-6-16(14)20-11)17(22)21-7-3-2-4-13(21)10-19/h5-6,8-9,13H,2-4,7,10,19H2,1H3
InChIKeyHYOYIGDKYFEXMR-UHFFFAOYSA-N
XLogP3.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 97433787
[(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone
CID 97435158
(6-chloro-2-methylquinolin-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 70742167
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119469020
[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119467502
[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119631398
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 119469805
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106
(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 96574367

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone (CID 72838827) is [2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCCCC2CN)c2cc(Cl)ccc2n1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone?
The InChIKey is HYOYIGDKYFEXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11-8-15(14-9-12(18)5-6-16(14)20-11)17(22)21-7-3-2-4-13(21)10-19/h5-6,8-9,13H,2-4,7,10,19H2,1H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone has a molecular weight of 317.82 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 72838827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).