N-[(3-chlorophenyl)methyl]quinolin-4-amine

C16H13ClN2 — CID 62538449

IUPACN-[(3-chlorophenyl)methyl]quinolin-4-amine
SMILESClc1cccc(CNc2ccnc3ccccc23)c1
InChIInChI=1S/C16H13ClN2/c17-13-5-3-4-12(10-13)11-19-16-8-9-18-15-7-2-1-6-14(15)16/h1-10H,11H2,(H,18,19)
InChIKeyPIGRXQOOCYXGBZ-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.50
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]quinolin-4-amine

N-[(3-chlorophenyl)methyl]quinolin-4-amine (PubChem CID 62538449) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]quinolin-4-amine
PubChem CID62538449
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC NameN-[(3-chlorophenyl)methyl]quinolin-4-amine
SMILESClc1cccc(CNc2ccnc3ccccc23)c1
InChIInChI=1S/C16H13ClN2/c17-13-5-3-4-12(10-13)11-19-16-8-9-18-15-7-2-1-6-14(15)16/h1-10H,11H2,(H,18,19)
InChIKeyPIGRXQOOCYXGBZ-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-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine
CID 65028486
N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine
CID 175312103
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 44819633
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
7-chloro-N-[[3-[1-(methylamino)-2-phenylethyl]phenyl]methyl]quinolin-4-amine
CID 91561178
7-chloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]quinolin-4-amine
CID 133351187
N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine
CID 66161429
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
N-ethylquinolin-4-amine
CID 15306588
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966
N-[[3-[(benzylamino)methyl]phenyl]methyl]-7-ethylquinolin-4-amine
CID 70920378
N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56683447

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]quinolin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]quinolin-4-amine (CID 62538449) is N-[(3-chlorophenyl)methyl]quinolin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]quinolin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]quinolin-4-amine is Clc1cccc(CNc2ccnc3ccccc23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]quinolin-4-amine?
The InChIKey is PIGRXQOOCYXGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-13-5-3-4-12(10-13)11-19-16-8-9-18-15-7-2-1-6-14(15)16/h1-10H,11H2,(H,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]quinolin-4-amine?
N-[(3-chlorophenyl)methyl]quinolin-4-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-[(3-chlorophenyl)methyl]quinolin-4-amine is sourced from PubChem (CID 62538449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).