N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide

C23H24N4O3 — CID 3241487

IUPACN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C23H24N4O3/c1-15-11-22(27-9-7-26(2)8-10-27)25-19-5-4-17(13-18(15)19)24-23(28)16-3-6-20-21(12-16)30-14-29-20/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,28)
InChIKeyAGIAQXNCZZGFLH-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.28
Rot. Bonds3

About N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide

N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 3241487) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID3241487
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C23H24N4O3/c1-15-11-22(27-9-7-26(2)8-10-27)25-19-5-4-17(13-18(15)19)24-23(28)16-3-6-20-21(12-16)30-14-29-20/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,28)
InChIKeyAGIAQXNCZZGFLH-UHFFFAOYSA-N
XLogP3.28
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide (CID 3241487) is N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12.
What is the InChIKey of N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is AGIAQXNCZZGFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-11-22(27-9-7-26(2)8-10-27)25-19-5-4-17(13-18(15)19)24-23(28)16-3-6-20-21(12-16)30-14-29-20/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,28).
What are the key properties of N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide?
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 3241487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).