3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane

C24H35N3O5 — CID 143904091

IUPAC3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane
SMILESCC.COCC(COC)n1cc(C(=O)N2CCN(C(C)=O)CC2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C22H29N3O5.C2H6/c1-15-5-6-20-18(11-15)21(27)19(12-25(20)17(13-29-3)14-30-4)22(28)24-9-7-23(8-10-24)16(2)26;1-2/h5-6,11-12,17H,7-10,13-14H2,1-4H3;1-2H3
InChIKeyAKKNPWVZEPZXFP-UHFFFAOYSA-N
MW445.56 g/mol
LogP2.47
Rot. Bonds6

About 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane

3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane (PubChem CID 143904091) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane.

Molecular Properties

Compound Name3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane
PubChem CID143904091
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Name3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane
SMILESCC.COCC(COC)n1cc(C(=O)N2CCN(C(C)=O)CC2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C22H29N3O5.C2H6/c1-15-5-6-20-18(11-15)21(27)19(12-25(20)17(13-29-3)14-30-4)22(28)24-9-7-23(8-10-24)16(2)26;1-2/h5-6,11-12,17H,7-10,13-14H2,1-4H3;1-2H3
InChIKeyAKKNPWVZEPZXFP-UHFFFAOYSA-N
XLogP2.47
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane with MolForge

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Related Compounds

1-(1,3-dimethoxypropan-2-yl)-6-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one;ethane
CID 143904202
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
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethyl-6-methylquinolin-4-one
CID 30132092
6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
CID 30133993
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
methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate
CID 167782706
ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 143904109
1-[4-(5-methyl-2-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 56822334

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane?
The IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane (CID 143904091) is 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane.
What is the SMILES notation for 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane?
The canonical SMILES for 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane is CC.COCC(COC)n1cc(C(=O)N2CCN(C(C)=O)CC2)c(=O)c2cc(C)ccc21.
What is the InChIKey of 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane?
The InChIKey is AKKNPWVZEPZXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5.C2H6/c1-15-5-6-20-18(11-15)21(27)19(12-25(20)17(13-29-3)14-30-4)22(28)24-9-7-23(8-10-24)16(2)26;1-2/h5-6,11-12,17H,7-10,13-14H2,1-4H3;1-2H3.
What are the key properties of 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane?
3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane has a molecular weight of 445.56 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazine-1-carbonyl)-1-(1,3-dimethoxypropan-2-yl)-6-methylquinolin-4-one;ethane is sourced from PubChem (CID 143904091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).