6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one

C24H27N3O4 — CID 30134004

IUPAC6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccc(OC)cc3)CC1)cn2C
InChIInChI=1S/C24H27N3O4/c1-4-31-19-9-10-22-20(15-19)23(28)21(16-25(22)2)24(29)27-13-11-26(12-14-27)17-5-7-18(30-3)8-6-17/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyZDFCVAJIIPMRDW-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.91
Rot. Bonds5

About 6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one

6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one (PubChem CID 30134004) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one
PubChem CID30134004
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccc(OC)cc3)CC1)cn2C
InChIInChI=1S/C24H27N3O4/c1-4-31-19-9-10-22-20(15-19)23(28)21(16-25(22)2)24(29)27-13-11-26(12-14-27)17-5-7-18(30-3)8-6-17/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyZDFCVAJIIPMRDW-UHFFFAOYSA-N
XLogP2.91
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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-benzylpiperazine-1-carbonyl)-6-ethoxy-1-methylquinolin-4-one
CID 30133996
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
6-ethoxy-1-methyl-N-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
CID 30134066
(5-methoxy-1-methylindol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71701857
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
CID 30133873
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide
CID 30134022
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone
CID 71701392

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one?
The IUPAC name of 6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one (CID 30134004) is 6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one.
What is the SMILES notation for 6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one?
The canonical SMILES for 6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one is CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccc(OC)cc3)CC1)cn2C.
What is the InChIKey of 6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one?
The InChIKey is ZDFCVAJIIPMRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-4-31-19-9-10-22-20(15-19)23(28)21(16-25(22)2)24(29)27-13-11-26(12-14-27)17-5-7-18(30-3)8-6-17/h5-10,15-16H,4,11-14H2,1-3H3.
What are the key properties of 6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one?
6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one has a molecular weight of 421.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one is sourced from PubChem (CID 30134004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).