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

C22H32N4O — CID 11326121

IUPAC3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C22H32N4O/c1-5-11-26(12-6-2)22(27)20-17(3)21(25-15-13-24(4)14-16-25)23-19-10-8-7-9-18(19)20/h7-10H,5-6,11-16H2,1-4H3
InChIKeyLWPDMBRHQRQDNV-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.56
Rot. Bonds6

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

3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide (PubChem CID 11326121) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide
PubChem CID11326121
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C22H32N4O/c1-5-11-26(12-6-2)22(27)20-17(3)21(25-15-13-24(4)14-16-25)23-19-10-8-7-9-18(19)20/h7-10H,5-6,11-16H2,1-4H3
InChIKeyLWPDMBRHQRQDNV-UHFFFAOYSA-N
XLogP3.56
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide?
The IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide (CID 11326121) is 3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide.
What is the SMILES notation for 3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide?
The canonical SMILES for 3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide is CCCN(CCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12.
What is the InChIKey of 3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide?
The InChIKey is LWPDMBRHQRQDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-5-11-26(12-6-2)22(27)20-17(3)21(25-15-13-24(4)14-16-25)23-19-10-8-7-9-18(19)20/h7-10H,5-6,11-16H2,1-4H3.
What are the key properties of 3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide?
3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpiperazin-1-yl)-N,N-dipropylquinoline-4-carboxamide is sourced from PubChem (CID 11326121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).