1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine

C17H22ClN3 — CID 79994339

IUPAC1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine
SMILESCc1ccc2cc(CN3CC(C)CC(N)C3)c(Cl)nc2c1
InChIInChI=1S/C17H22ClN3/c1-11-3-4-13-7-14(17(18)20-16(13)6-11)9-21-8-12(2)5-15(19)10-21/h3-4,6-7,12,15H,5,8-10,19H2,1-2H3
InChIKeyWMHHFNNHVJHYDJ-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.37
Rot. Bonds2

About 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine

1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine (PubChem CID 79994339) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine
PubChem CID79994339
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine
SMILESCc1ccc2cc(CN3CC(C)CC(N)C3)c(Cl)nc2c1
InChIInChI=1S/C17H22ClN3/c1-11-3-4-13-7-14(17(18)20-16(13)6-11)9-21-8-12(2)5-15(19)10-21/h3-4,6-7,12,15H,5,8-10,19H2,1-2H3
InChIKeyWMHHFNNHVJHYDJ-UHFFFAOYSA-N
XLogP3.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine (CID 79994339) is 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine is Cc1ccc2cc(CN3CC(C)CC(N)C3)c(Cl)nc2c1.
What is the InChIKey of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is WMHHFNNHVJHYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-11-3-4-13-7-14(17(18)20-16(13)6-11)9-21-8-12(2)5-15(19)10-21/h3-4,6-7,12,15H,5,8-10,19H2,1-2H3.
What are the key properties of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine?
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 303.84 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 79994339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).