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

C19H14ClFN4 — CID 71452839

IUPAC7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESFc1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1
InChIInChI=1S/C19H14ClFN4/c20-13-3-6-15-16(7-8-22-17(15)9-13)23-11-19-24-10-18(25-19)12-1-4-14(21)5-2-12/h1-10H,11H2,(H,22,23)(H,24,25)
InChIKeyGRZVMCZGQOKYQE-UHFFFAOYSA-N
MW352.80 g/mol
LogP5.03
Rot. Bonds4

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

7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (PubChem CID 71452839) has the molecular formula C19H14ClFN4 and a molecular weight of 352.80 g/mol. Its IUPAC name is 7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
PubChem CID71452839
Molecular FormulaC19H14ClFN4
Molecular Weight352.80 g/mol
Exact Mass352.09
IUPAC Name7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESFc1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1
InChIInChI=1S/C19H14ClFN4/c20-13-3-6-15-16(7-8-22-17(15)9-13)23-11-19-24-10-18(25-19)12-1-4-14(21)5-2-12/h1-10H,11H2,(H,22,23)(H,24,25)
InChIKeyGRZVMCZGQOKYQE-UHFFFAOYSA-N
XLogP5.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.80
LogP ≤ 55.03
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-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (CID 71452839) is 7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is Fc1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1.
What is the InChIKey of 7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The InChIKey is GRZVMCZGQOKYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4/c20-13-3-6-15-16(7-8-22-17(15)9-13)23-11-19-24-10-18(25-19)12-1-4-14(21)5-2-12/h1-10H,11H2,(H,22,23)(H,24,25).
What are the key properties of 7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
7-chloro-N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine has a molecular weight of 352.80 g/mol, XLogP of 5.03, 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-fluorophenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 71452839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).