2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline

C16H12Cl2N2 — CID 71595544

IUPAC2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline
SMILESClc1ccccc1NCc1cc2ccccc2nc1Cl
InChIInChI=1S/C16H12Cl2N2/c17-13-6-2-4-8-15(13)19-10-12-9-11-5-1-3-7-14(11)20-16(12)18/h1-9,19H,10H2
InChIKeyYPIIGCAWPJCHFM-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.15
Rot. Bonds3

About 2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline

2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline (PubChem CID 71595544) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline
PubChem CID71595544
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline
SMILESClc1ccccc1NCc1cc2ccccc2nc1Cl
InChIInChI=1S/C16H12Cl2N2/c17-13-6-2-4-8-15(13)19-10-12-9-11-5-1-3-7-14(11)20-16(12)18/h1-9,19H,10H2
InChIKeyYPIIGCAWPJCHFM-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol
CID 52704853
(2-chloroquinolin-3-yl)methanamine
CID 71748539
3-benzyl-2-chloroquinoline
CID 14001237
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 29241212
2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 62090102
N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 29228864
2-[(2-chloroanilino)methyl]aniline
CID 66387029
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
CID 116985191
1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 78964550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline?
The IUPAC name of 2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline (CID 71595544) is 2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline?
The canonical SMILES for 2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline is Clc1ccccc1NCc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline?
The InChIKey is YPIIGCAWPJCHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c17-13-6-2-4-8-15(13)19-10-12-9-11-5-1-3-7-14(11)20-16(12)18/h1-9,19H,10H2.
What are the key properties of 2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline?
2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline has a molecular weight of 303.19 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline is sourced from PubChem (CID 71595544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).