(2-chloroquinolin-3-yl)methanamine

C10H9ClN2 — CID 71748539

IUPAC(2-chloroquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2nc1Cl
InChIInChI=1S/C10H9ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h1-5H,6,12H2
InChIKeyUSZRQTMFWBJHCM-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.35
Rot. Bonds1

About (2-chloroquinolin-3-yl)methanamine

(2-chloroquinolin-3-yl)methanamine (PubChem CID 71748539) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl)methanamine
PubChem CID71748539
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name(2-chloroquinolin-3-yl)methanamine
SMILESNCc1cc2ccccc2nc1Cl
InChIInChI=1S/C10H9ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h1-5H,6,12H2
InChIKeyUSZRQTMFWBJHCM-UHFFFAOYSA-N
XLogP2.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.35
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

3-benzyl-2-chloroquinoline
CID 14001237
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
[3-(aminomethyl)quinolin-2-yl]methanol
CID 25170623
2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
CID 170893249
2-[(2-chloroquinolin-3-yl)methoxy]aniline
CID 61026521
2-chloro-N-[(2-chloroquinolin-3-yl)methyl]aniline
CID 71595544
2-chloro-3-[(4-chlorophenyl)sulfanylmethyl]quinoline
CID 60652062
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
CID 116985191
2-chloro-3-(3-methylbutan-2-ylsulfanylmethyl)quinoline
CID 107747458
[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methanamine
CID 107752046

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-3-yl)methanamine?
The IUPAC name of (2-chloroquinolin-3-yl)methanamine (CID 71748539) is (2-chloroquinolin-3-yl)methanamine.
What is the SMILES notation for (2-chloroquinolin-3-yl)methanamine?
The canonical SMILES for (2-chloroquinolin-3-yl)methanamine is NCc1cc2ccccc2nc1Cl.
What is the InChIKey of (2-chloroquinolin-3-yl)methanamine?
The InChIKey is USZRQTMFWBJHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h1-5H,6,12H2.
What are the key properties of (2-chloroquinolin-3-yl)methanamine?
(2-chloroquinolin-3-yl)methanamine has a molecular weight of 192.65 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl)methanamine is sourced from PubChem (CID 71748539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).