2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide

C21H30N4O — CID 11485023

IUPAC2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C21H30N4O/c1-4-10-25(11-5-2)21(26)18-16-20(24-14-12-23(3)13-15-24)22-19-9-7-6-8-17(18)19/h6-9,16H,4-5,10-15H2,1-3H3
InChIKeyYKRKHNYZPYMYFW-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.25
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide

2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide (PubChem CID 11485023) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide
PubChem CID11485023
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C21H30N4O/c1-4-10-25(11-5-2)21(26)18-16-20(24-14-12-23(3)13-15-24)22-19-9-7-6-8-17(18)19/h6-9,16H,4-5,10-15H2,1-3H3
InChIKeyYKRKHNYZPYMYFW-UHFFFAOYSA-N
XLogP3.25
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide (CID 11485023) is 2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide is CCCN(CCC)C(=O)c1cc(N2CCN(C)CC2)nc2ccccc12.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide?
The InChIKey is YKRKHNYZPYMYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-10-25(11-5-2)21(26)18-16-20(24-14-12-23(3)13-15-24)22-19-9-7-6-8-17(18)19/h6-9,16H,4-5,10-15H2,1-3H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide is sourced from PubChem (CID 11485023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).