N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine

C16H14ClN3 — CID 29228864

IUPACN-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESClc1nc2ccccc2cc1CNCc1cccnc1
InChIInChI=1S/C16H14ClN3/c17-16-14(8-13-5-1-2-6-15(13)20-16)11-19-10-12-4-3-7-18-9-12/h1-9,19H,10-11H2
InChIKeySMPLHOFQZMWFOB-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.57
Rot. Bonds4

About N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine

N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 29228864) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID29228864
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESClc1nc2ccccc2cc1CNCc1cccnc1
InChIInChI=1S/C16H14ClN3/c17-16-14(8-13-5-1-2-6-15(13)20-16)11-19-10-12-4-3-7-18-9-12/h1-9,19H,10-11H2
InChIKeySMPLHOFQZMWFOB-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.57
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-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
3-benzyl-2-chloroquinoline
CID 14001237
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline
CID 71595544
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54855342
2-(pyridin-3-ylmethylamino)ethanol;2,3,5-trichloro-6-[(3,5,6-trichloro-2-pyridinyl)oxy]pyridine
CID 88695715
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66530812
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66534062

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine (CID 29228864) is N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine is Clc1nc2ccccc2cc1CNCc1cccnc1.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is SMPLHOFQZMWFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-16-14(8-13-5-1-2-6-15(13)20-16)11-19-10-12-4-3-7-18-9-12/h1-9,19H,10-11H2.
What are the key properties of N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 283.76 g/mol, XLogP of 3.57, 4 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]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 29228864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).