N-benzyl-4-chloroquinolin-2-amine

C16H13ClN2 — CID 146441058

IUPACN-benzyl-4-chloroquinolin-2-amine
SMILESClc1cc(NCc2ccccc2)nc2ccccc12
InChIInChI=1S/C16H13ClN2/c17-14-10-16(18-11-12-6-2-1-3-7-12)19-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,18,19)
InChIKeyXDXIGNILNXOYCY-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.50
Rot. Bonds3

About N-benzyl-4-chloroquinolin-2-amine

N-benzyl-4-chloroquinolin-2-amine (PubChem CID 146441058) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is N-benzyl-4-chloroquinolin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-chloroquinolin-2-amine
PubChem CID146441058
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC NameN-benzyl-4-chloroquinolin-2-amine
SMILESClc1cc(NCc2ccccc2)nc2ccccc12
InChIInChI=1S/C16H13ClN2/c17-14-10-16(18-11-12-6-2-1-3-7-12)19-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,18,19)
InChIKeyXDXIGNILNXOYCY-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4,5-dichloropyridin-2-amine
CID 130637880
N-benzyl-4-chloroquinolin-2-amine;2,4-dichloroquinoline;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;phenylmethanamine
CID 159205621
N-benzyl-6-chloro-4-iodopyridin-2-amine
CID 87184942
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
2-(benzylamino)quinolin-7-ol
CID 137043038
N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine
CID 77230922
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline
CID 23614355
N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112915465
2-[3-(bromomethyl)phenyl]-4-chloroquinoline
CID 11809748

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloroquinolin-2-amine?
The IUPAC name of N-benzyl-4-chloroquinolin-2-amine (CID 146441058) is N-benzyl-4-chloroquinolin-2-amine.
What is the SMILES notation for N-benzyl-4-chloroquinolin-2-amine?
The canonical SMILES for N-benzyl-4-chloroquinolin-2-amine is Clc1cc(NCc2ccccc2)nc2ccccc12.
What is the InChIKey of N-benzyl-4-chloroquinolin-2-amine?
The InChIKey is XDXIGNILNXOYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-14-10-16(18-11-12-6-2-1-3-7-12)19-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,18,19).
What are the key properties of N-benzyl-4-chloroquinolin-2-amine?
N-benzyl-4-chloroquinolin-2-amine has a molecular weight of 268.75 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloroquinolin-2-amine is sourced from PubChem (CID 146441058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).