N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine

C15H18ClN3 — CID 63301282

IUPACN-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1cc2ccccc2nc1Cl)C1CCNC1
InChIInChI=1S/C15H18ClN3/c1-19(13-6-7-17-9-13)10-12-8-11-4-2-3-5-14(11)18-15(12)16/h2-5,8,13,17H,6-7,9-10H2,1H3
InChIKeyMFURJQUPYBNWSI-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.68
Rot. Bonds3

About N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine

N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 63301282) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID63301282
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1cc2ccccc2nc1Cl)C1CCNC1
InChIInChI=1S/C15H18ClN3/c1-19(13-6-7-17-9-13)10-12-8-11-4-2-3-5-14(11)18-15(12)16/h2-5,8,13,17H,6-7,9-10H2,1H3
InChIKeyMFURJQUPYBNWSI-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.68
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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Related Compounds

N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79702363
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636608
2-chloro-3-(pyrrolidin-3-ylmethyl)quinoline
CID 116985205
(3R)-N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71641701
N-methyl-N-(quinolin-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 119923035
N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 62060549
2-chloro-3-pyrrolidin-3-ylquinoline
CID 116985200
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 131047945
N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641775
(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641771
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63276042

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine (CID 63301282) is N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine is CN(Cc1cc2ccccc2nc1Cl)C1CCNC1.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is MFURJQUPYBNWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-19(13-6-7-17-9-13)10-12-8-11-4-2-3-5-14(11)18-15(12)16/h2-5,8,13,17H,6-7,9-10H2,1H3.
What are the key properties of N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine?
N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 275.78 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63301282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).