1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane

C23H35N3O4 — CID 143904202

IUPAC1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane
SMILESCC.COCC(COC)n1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C21H29N3O4.C2H6/c1-15-5-6-19-17(11-15)20(25)18(12-24(19)16(13-27-3)14-28-4)21(26)23-9-7-22(2)8-10-23;1-2/h5-6,11-12,16H,7-10,13-14H2,1-4H3;1-2H3
InChIKeyGXWAPOFESHHVTG-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.56
Rot. Bonds6

About 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane

1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane (PubChem CID 143904202) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane.

Molecular Properties

Compound Name1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane
PubChem CID143904202
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane
SMILESCC.COCC(COC)n1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C21H29N3O4.C2H6/c1-15-5-6-19-17(11-15)20(25)18(12-24(19)16(13-27-3)14-28-4)21(26)23-9-7-22(2)8-10-23;1-2/h5-6,11-12,16H,7-10,13-14H2,1-4H3;1-2H3
InChIKeyGXWAPOFESHHVTG-UHFFFAOYSA-N
XLogP2.56
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane with MolForge

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Related Compounds

3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane
CID 143904091
6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
CID 30133993
ethyl 1-(1-hydroxybutan-2-yl)-6-methyl-4-oxoquinoline-3-carboxylate
CID 90894244
ethyl 1-[(2R)-1-hydroxybutan-2-yl]-6-methyl-4-oxoquinoline-3-carboxylate
CID 143904209
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one
CID 30132092
[5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 89110023
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one
CID 91781708
6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one
CID 30134004
1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one
CID 95548927
(2-bromo-5-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80953724

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane?
The IUPAC name of 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane (CID 143904202) is 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane.
What is the SMILES notation for 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane?
The canonical SMILES for 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane is CC.COCC(COC)n1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(C)ccc21.
What is the InChIKey of 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane?
The InChIKey is GXWAPOFESHHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4.C2H6/c1-15-5-6-19-17(11-15)20(25)18(12-24(19)16(13-27-3)14-28-4)21(26)23-9-7-22(2)8-10-23;1-2/h5-6,11-12,16H,7-10,13-14H2,1-4H3;1-2H3.
What are the key properties of 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane?
1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane has a molecular weight of 417.55 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane is sourced from PubChem (CID 143904202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).