7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine

C25H32N4O2 — CID 24806073

IUPAC7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine
SMILESCOc1ccc2ccc(NCCCCN3CCN(c4ccccc4OC)CC3)nc2c1
InChIInChI=1S/C25H32N4O2/c1-30-21-11-9-20-10-12-25(27-22(20)19-21)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
InChIKeyDQPJFBDJGHOLKV-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.27
Rot. Bonds9

About 7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine

7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine (PubChem CID 24806073) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine
PubChem CID24806073
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine
SMILESCOc1ccc2ccc(NCCCCN3CCN(c4ccccc4OC)CC3)nc2c1
InChIInChI=1S/C25H32N4O2/c1-30-21-11-9-20-10-12-25(27-22(20)19-21)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
InChIKeyDQPJFBDJGHOLKV-UHFFFAOYSA-N
XLogP4.27
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The IUPAC name of 7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine (CID 24806073) is 7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine.
What is the SMILES notation for 7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The canonical SMILES for 7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine is COc1ccc2ccc(NCCCCN3CCN(c4ccccc4OC)CC3)nc2c1.
What is the InChIKey of 7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The InChIKey is DQPJFBDJGHOLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-30-21-11-9-20-10-12-25(27-22(20)19-21)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27).
What are the key properties of 7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine has a molecular weight of 420.56 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine is sourced from PubChem (CID 24806073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).