7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine

C20H17ClN4 — CID 71461746

IUPAC7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine
SMILESCn1cc(-c2ccccc2)nc1CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H17ClN4/c1-25-13-19(14-5-3-2-4-6-14)24-20(25)12-23-17-9-10-22-18-11-15(21)7-8-16(17)18/h2-11,13H,12H2,1H3,(H,22,23)
InChIKeyARFFWXGCKIAFCN-UHFFFAOYSA-N
MW348.84 g/mol
LogP4.90
Rot. Bonds4

About 7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine

7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine (PubChem CID 71461746) has the molecular formula C20H17ClN4 and a molecular weight of 348.84 g/mol. Its IUPAC name is 7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine
PubChem CID71461746
Molecular FormulaC20H17ClN4
Molecular Weight348.84 g/mol
Exact Mass348.11
IUPAC Name7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine
SMILESCn1cc(-c2ccccc2)nc1CNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H17ClN4/c1-25-13-19(14-5-3-2-4-6-14)24-20(25)12-23-17-9-10-22-18-11-15(21)7-8-16(17)18/h2-11,13H,12H2,1H3,(H,22,23)
InChIKeyARFFWXGCKIAFCN-UHFFFAOYSA-N
XLogP4.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine (CID 71461746) is 7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine is Cn1cc(-c2ccccc2)nc1CNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine?
The InChIKey is ARFFWXGCKIAFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4/c1-25-13-19(14-5-3-2-4-6-14)24-20(25)12-23-17-9-10-22-18-11-15(21)7-8-16(17)18/h2-11,13H,12H2,1H3,(H,22,23).
What are the key properties of 7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine?
7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine has a molecular weight of 348.84 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(1-methyl-4-phenylimidazol-2-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 71461746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).