6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine

C21H24N4O2 — CID 13359988

IUPAC6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4ccccc4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C21H24N4O2/c1-26-19-12-16-17(22)13-21(23-18(16)14-20(19)27-2)25-10-8-24(9-11-25)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,22,23)
InChIKeyNBNFVSMBGKPYLK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.16
Rot. Bonds4

About 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine

6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine (PubChem CID 13359988) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine
PubChem CID13359988
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4ccccc4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C21H24N4O2/c1-26-19-12-16-17(22)13-21(23-18(16)14-20(19)27-2)25-10-8-24(9-11-25)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,22,23)
InChIKeyNBNFVSMBGKPYLK-UHFFFAOYSA-N
XLogP3.16
TPSA63.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine (CID 13359988) is 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine is COc1cc2nc(N3CCN(c4ccccc4)CC3)cc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine?
The InChIKey is NBNFVSMBGKPYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-26-19-12-16-17(22)13-21(23-18(16)14-20(19)27-2)25-10-8-24(9-11-25)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,22,23).
What are the key properties of 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine?
6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine is sourced from PubChem (CID 13359988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).