N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine

C17H21ClN2 — CID 62060549

IUPACN-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine
SMILESCN(Cc1cc2ccccc2nc1Cl)CC1CCCC1
InChIInChI=1S/C17H21ClN2/c1-20(11-13-6-2-3-7-13)12-15-10-14-8-4-5-9-16(14)19-17(15)18/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3
InChIKeySZRSCHWCBHICBO-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.51
Rot. Bonds4

About N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine

N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine (PubChem CID 62060549) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine
PubChem CID62060549
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine
SMILESCN(Cc1cc2ccccc2nc1Cl)CC1CCCC1
InChIInChI=1S/C17H21ClN2/c1-20(11-13-6-2-3-7-13)12-15-10-14-8-4-5-9-16(14)19-17(15)18/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3
InChIKeySZRSCHWCBHICBO-UHFFFAOYSA-N
XLogP4.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine (CID 62060549) is N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine is CN(Cc1cc2ccccc2nc1Cl)CC1CCCC1.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
The InChIKey is SZRSCHWCBHICBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-20(11-13-6-2-3-7-13)12-15-10-14-8-4-5-9-16(14)19-17(15)18/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3.
What are the key properties of N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine has a molecular weight of 288.82 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 62060549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).