(2,3-dichlorophenyl)-quinolin-4-ylmethanamine

C16H12Cl2N2 — CID 105141880

IUPAC(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
SMILESNC(c1cccc(Cl)c1Cl)c1ccnc2ccccc12
InChIInChI=1S/C16H12Cl2N2/c17-13-6-3-5-12(15(13)18)16(19)11-8-9-20-14-7-2-1-4-10(11)14/h1-9,16H,19H2
InChIKeyUBVBVSILWNWGEX-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.59
Rot. Bonds2

About (2,3-dichlorophenyl)-quinolin-4-ylmethanamine

(2,3-dichlorophenyl)-quinolin-4-ylmethanamine (PubChem CID 105141880) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-quinolin-4-ylmethanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
PubChem CID105141880
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
SMILESNC(c1cccc(Cl)c1Cl)c1ccnc2ccccc12
InChIInChI=1S/C16H12Cl2N2/c17-13-6-3-5-12(15(13)18)16(19)11-8-9-20-14-7-2-1-4-10(11)14/h1-9,16H,19H2
InChIKeyUBVBVSILWNWGEX-UHFFFAOYSA-N
XLogP4.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-quinolin-4-ylmethanamine
CID 105099870
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
(4-chlorophenyl)-quinolin-4-ylmethanamine
CID 105076501
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
CID 79589877
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
(2-methylfuran-3-yl)-quinolin-5-ylmethanamine
CID 104789805
[4-[4-[amino(quinolin-4-yl)methyl]phenyl]phenyl]-quinolin-4-ylmethanamine;hydrate
CID 67722730
(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853206
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-quinolin-4-ylmethanamine?
The IUPAC name of (2,3-dichlorophenyl)-quinolin-4-ylmethanamine (CID 105141880) is (2,3-dichlorophenyl)-quinolin-4-ylmethanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-quinolin-4-ylmethanamine?
The canonical SMILES for (2,3-dichlorophenyl)-quinolin-4-ylmethanamine is NC(c1cccc(Cl)c1Cl)c1ccnc2ccccc12.
What is the InChIKey of (2,3-dichlorophenyl)-quinolin-4-ylmethanamine?
The InChIKey is UBVBVSILWNWGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c17-13-6-3-5-12(15(13)18)16(19)11-8-9-20-14-7-2-1-4-10(11)14/h1-9,16H,19H2.
What are the key properties of (2,3-dichlorophenyl)-quinolin-4-ylmethanamine?
(2,3-dichlorophenyl)-quinolin-4-ylmethanamine has a molecular weight of 303.19 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-quinolin-4-ylmethanamine is sourced from PubChem (CID 105141880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).