3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one

C19H27N3O4 — CID 56716223

IUPAC3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one
SMILESCCN1CCN(Cc2cc3c(OC)c(OC)c(OC)cc3[nH]c2=O)CC1
InChIInChI=1S/C19H27N3O4/c1-5-21-6-8-22(9-7-21)12-13-10-14-15(20-19(13)23)11-16(24-2)18(26-4)17(14)25-3/h10-11H,5-9,12H2,1-4H3,(H,20,23)
InChIKeyTYJMWMPDPHKFCH-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.69
Rot. Bonds6

About 3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one

3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one (PubChem CID 56716223) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one
PubChem CID56716223
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one
SMILESCCN1CCN(Cc2cc3c(OC)c(OC)c(OC)cc3[nH]c2=O)CC1
InChIInChI=1S/C19H27N3O4/c1-5-21-6-8-22(9-7-21)12-13-10-14-15(20-19(13)23)11-16(24-2)18(26-4)17(14)25-3/h10-11H,5-9,12H2,1-4H3,(H,20,23)
InChIKeyTYJMWMPDPHKFCH-UHFFFAOYSA-N
XLogP1.69
TPSA67.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(dimethylamino)azepan-1-yl]methyl]-5,6,7-trimethoxy-1H-quinolin-2-one
CID 56908742
5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690296
3-[[4-(4-acetylpiperazin-1-yl)anilino]methyl]-5,6,7-trimethoxy-1H-quinolin-2-one
CID 46950067
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
CID 782375
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
4,5-dimethoxy-6-methyl-2-[3-[4-[3-(4,5,6-trimethoxy-1H-indol-2-yl)propyl]piperazin-1-yl]propyl]-1H-indole
CID 142201262
3-[[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 56701960
1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
CID 117415820
ethyl [6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] carbonate;dihydrochloride
CID 67652751
5,6,7-trimethoxy-3-[(quinolin-5-ylamino)methyl]-1H-quinolin-2-one
CID 46952115
(3S)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 95212553

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one (CID 56716223) is 3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one is CCN1CCN(Cc2cc3c(OC)c(OC)c(OC)cc3[nH]c2=O)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one?
The InChIKey is TYJMWMPDPHKFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-5-21-6-8-22(9-7-21)12-13-10-14-15(20-19(13)23)11-16(24-2)18(26-4)17(14)25-3/h10-11H,5-9,12H2,1-4H3,(H,20,23).
What are the key properties of 3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one?
3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one has a molecular weight of 361.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 56716223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).