7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine

C19H14Cl2N4 — CID 71449216

IUPAC7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESClc1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1
InChIInChI=1S/C19H14Cl2N4/c20-13-3-1-12(2-4-13)18-10-24-19(25-18)11-23-16-7-8-22-17-9-14(21)5-6-15(16)17/h1-10H,11H2,(H,22,23)(H,24,25)
InChIKeyJPMKTHCRXXPJCW-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.54
Rot. Bonds4

About 7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine

7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (PubChem CID 71449216) has the molecular formula C19H14Cl2N4 and a molecular weight of 369.26 g/mol. Its IUPAC name is 7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
PubChem CID71449216
Molecular FormulaC19H14Cl2N4
Molecular Weight369.26 g/mol
Exact Mass368.06
IUPAC Name7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESClc1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1
InChIInChI=1S/C19H14Cl2N4/c20-13-3-1-12(2-4-13)18-10-24-19(25-18)11-23-16-7-8-22-17-9-14(21)5-6-15(16)17/h1-10H,11H2,(H,22,23)(H,24,25)
InChIKeyJPMKTHCRXXPJCW-UHFFFAOYSA-N
XLogP5.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (CID 71449216) is 7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is Clc1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1.
What is the InChIKey of 7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The InChIKey is JPMKTHCRXXPJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4/c20-13-3-1-12(2-4-13)18-10-24-19(25-18)11-23-16-7-8-22-17-9-14(21)5-6-15(16)17/h1-10H,11H2,(H,22,23)(H,24,25).
What are the key properties of 7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine has a molecular weight of 369.26 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 71449216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).