3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide

C24H29N5O — CID 44522096

IUPAC3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3cccc(N(C)C)c3)cc12
InChIInChI=1S/C24H29N5O/c1-17-14-23(29-12-10-28(4)11-13-29)26-22-9-8-19(16-21(17)22)25-24(30)18-6-5-7-20(15-18)27(2)3/h5-9,14-16H,10-13H2,1-4H3,(H,25,30)
InChIKeyVNTPCXCMCVYOQW-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.61
Rot. Bonds4

About 3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide

3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide (PubChem CID 44522096) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
PubChem CID44522096
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3cccc(N(C)C)c3)cc12
InChIInChI=1S/C24H29N5O/c1-17-14-23(29-12-10-28(4)11-13-29)26-22-9-8-19(16-21(17)22)25-24(30)18-6-5-7-20(15-18)27(2)3/h5-9,14-16H,10-13H2,1-4H3,(H,25,30)
InChIKeyVNTPCXCMCVYOQW-UHFFFAOYSA-N
XLogP3.61
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide (CID 44522096) is 3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3cccc(N(C)C)c3)cc12.
What is the InChIKey of 3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
The InChIKey is VNTPCXCMCVYOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-14-23(29-12-10-28(4)11-13-29)26-22-9-8-19(16-21(17)22)25-24(30)18-6-5-7-20(15-18)27(2)3/h5-9,14-16H,10-13H2,1-4H3,(H,25,30).
What are the key properties of 3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide has a molecular weight of 403.53 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide is sourced from PubChem (CID 44522096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).