(4-chlorophenyl)-quinolin-4-ylmethanamine

C16H13ClN2 — CID 105076501

IUPAC(4-chlorophenyl)-quinolin-4-ylmethanamine
SMILESNC(c1ccc(Cl)cc1)c1ccnc2ccccc12
InChIInChI=1S/C16H13ClN2/c17-12-7-5-11(6-8-12)16(18)14-9-10-19-15-4-2-1-3-13(14)15/h1-10,16H,18H2
InChIKeyQUPRVEZPTDFMIP-UHFFFAOYSA-N
MW268.75 g/mol
LogP3.94
Rot. Bonds2

About (4-chlorophenyl)-quinolin-4-ylmethanamine

(4-chlorophenyl)-quinolin-4-ylmethanamine (PubChem CID 105076501) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is (4-chlorophenyl)-quinolin-4-ylmethanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-quinolin-4-ylmethanamine
PubChem CID105076501
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name(4-chlorophenyl)-quinolin-4-ylmethanamine
SMILESNC(c1ccc(Cl)cc1)c1ccnc2ccccc12
InChIInChI=1S/C16H13ClN2/c17-12-7-5-11(6-8-12)16(18)14-9-10-19-15-4-2-1-3-13(14)15/h1-10,16H,18H2
InChIKeyQUPRVEZPTDFMIP-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-[amino(quinolin-4-yl)methyl]phenyl]phenyl]-quinolin-4-ylmethanamine;hydrate
CID 67722730
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
(4-ethylphenyl)-quinolin-4-ylmethanamine
CID 105121771
(2-chlorophenyl)-quinolin-4-ylmethanamine
CID 105099870
(4-propylphenyl)-quinolin-4-ylmethanamine
CID 105144415
(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
CID 81231315
(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
CID 105141880
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016
(5-methyl-3-pyridinyl)-quinolin-4-ylmethanamine
CID 105173960
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
(4-chlorophenyl)-isoquinolin-1-ylmethanamine
CID 63949053
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-quinolin-4-ylmethanamine?
The IUPAC name of (4-chlorophenyl)-quinolin-4-ylmethanamine (CID 105076501) is (4-chlorophenyl)-quinolin-4-ylmethanamine.
What is the SMILES notation for (4-chlorophenyl)-quinolin-4-ylmethanamine?
The canonical SMILES for (4-chlorophenyl)-quinolin-4-ylmethanamine is NC(c1ccc(Cl)cc1)c1ccnc2ccccc12.
What is the InChIKey of (4-chlorophenyl)-quinolin-4-ylmethanamine?
The InChIKey is QUPRVEZPTDFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-12-7-5-11(6-8-12)16(18)14-9-10-19-15-4-2-1-3-13(14)15/h1-10,16H,18H2.
What are the key properties of (4-chlorophenyl)-quinolin-4-ylmethanamine?
(4-chlorophenyl)-quinolin-4-ylmethanamine has a molecular weight of 268.75 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-quinolin-4-ylmethanamine is sourced from PubChem (CID 105076501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).