6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one

C18H23N3O3 — CID 30133993

IUPAC6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(C)CC1)cn2C
InChIInChI=1S/C18H23N3O3/c1-4-24-13-5-6-16-14(11-13)17(22)15(12-20(16)3)18(23)21-9-7-19(2)8-10-21/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyMJOMGVXDZKJZJZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.32
Rot. Bonds3

About 6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one

6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one (PubChem CID 30133993) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
PubChem CID30133993
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(C)CC1)cn2C
InChIInChI=1S/C18H23N3O3/c1-4-24-13-5-6-16-14(11-13)17(22)15(12-20(16)3)18(23)21-9-7-19(2)8-10-21/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyMJOMGVXDZKJZJZ-UHFFFAOYSA-N
XLogP1.32
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one
CID 30134004
3-(4-benzylpiperazine-1-carbonyl)-6-ethoxy-1-methylquinolin-4-one
CID 30133996
6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
CID 30133873
6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide
CID 30134022
6-ethoxy-1-methyl-N-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
CID 30134066
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30133888
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 43888799
N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 30134009

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one?
The IUPAC name of 6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one (CID 30133993) is 6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one.
What is the SMILES notation for 6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one?
The canonical SMILES for 6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one is CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(C)CC1)cn2C.
What is the InChIKey of 6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one?
The InChIKey is MJOMGVXDZKJZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-24-13-5-6-16-14(11-13)17(22)15(12-20(16)3)18(23)21-9-7-19(2)8-10-21/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one?
6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one has a molecular weight of 329.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one is sourced from PubChem (CID 30133993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).