3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine

C16H13Cl2N3 — CID 10215103

IUPAC3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
SMILESNCc1c(N)nc2ccccc2c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3/c17-9-5-6-10(13(18)7-9)15-11-3-1-2-4-14(11)21-16(20)12(15)8-19/h1-7H,8,19H2,(H2,20,21)
InChIKeyINWXECLKHABNLA-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.25
Rot. Bonds2

About 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine

3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine (PubChem CID 10215103) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
PubChem CID10215103
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
SMILESNCc1c(N)nc2ccccc2c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3/c17-9-5-6-10(13(18)7-9)15-11-3-1-2-4-14(11)21-16(20)12(15)8-19/h1-7H,8,19H2,(H2,20,21)
InChIKeyINWXECLKHABNLA-UHFFFAOYSA-N
XLogP4.25
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine (CID 10215103) is 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine is NCc1c(N)nc2ccccc2c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine?
The InChIKey is INWXECLKHABNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-9-5-6-10(13(18)7-9)15-11-3-1-2-4-14(11)21-16(20)12(15)8-19/h1-7H,8,19H2,(H2,20,21).
What are the key properties of 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine?
3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine has a molecular weight of 318.21 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine is sourced from PubChem (CID 10215103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).