N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

C24H36N4O — CID 11223216

IUPACN,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCCCN(CCCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C24H36N4O/c1-5-7-13-28(14-8-6-2)24(29)22-19(3)23(27-17-15-26(4)16-18-27)25-21-12-10-9-11-20(21)22/h9-12H,5-8,13-18H2,1-4H3
InChIKeyVYZHAKMQCIOUER-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.34
Rot. Bonds8

About N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 11223216) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID11223216
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCCCN(CCCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C24H36N4O/c1-5-7-13-28(14-8-6-2)24(29)22-19(3)23(27-17-15-26(4)16-18-27)25-21-12-10-9-11-20(21)22/h9-12H,5-8,13-18H2,1-4H3
InChIKeyVYZHAKMQCIOUER-UHFFFAOYSA-N
XLogP4.34
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 11223216) is N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is CCCCN(CCCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12.
What is the InChIKey of N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is VYZHAKMQCIOUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-5-7-13-28(14-8-6-2)24(29)22-19(3)23(27-17-15-26(4)16-18-27)25-21-12-10-9-11-20(21)22/h9-12H,5-8,13-18H2,1-4H3.
What are the key properties of N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 11223216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).