1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide

C20H24N4O4 — CID 127398306

IUPAC1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide
SMILESCCn1nc(C(=O)NC2CCN(C3CCOCC3)C2=O)c(=O)c2ccccc21
InChIInChI=1S/C20H24N4O4/c1-2-24-16-6-4-3-5-14(16)18(25)17(22-24)19(26)21-15-7-10-23(20(15)27)13-8-11-28-12-9-13/h3-6,13,15H,2,7-12H2,1H3,(H,21,26)
InChIKeyKYZNDXLPDNYDFL-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.93
Rot. Bonds4

About 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide

1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide (PubChem CID 127398306) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide
PubChem CID127398306
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide
SMILESCCn1nc(C(=O)NC2CCN(C3CCOCC3)C2=O)c(=O)c2ccccc21
InChIInChI=1S/C20H24N4O4/c1-2-24-16-6-4-3-5-14(16)18(25)17(22-24)19(26)21-15-7-10-23(20(15)27)13-8-11-28-12-9-13/h3-6,13,15H,2,7-12H2,1H3,(H,21,26)
InChIKeyKYZNDXLPDNYDFL-UHFFFAOYSA-N
XLogP0.93
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide
CID 15232962
N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 154736341
1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one
CID 53014951
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride
CID 19423202
2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide
CID 146086001
N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 127398339
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride
CID 120819071
(2S,5S)-5-[(1-ethylindazole-3-carbonyl)amino]-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylic acid
CID 67270549
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
methyl 2-[(1-ethyl-4-oxocinnoline-3-carbonyl)amino]-3-methylbutanoate
CID 75770241
2-cyclopentyl-2-methyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]propanamide
CID 86769756
1-ethyl-3-(8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cinnolin-4-one
CID 136536217

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide (CID 127398306) is 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide is CCn1nc(C(=O)NC2CCN(C3CCOCC3)C2=O)c(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide?
The InChIKey is KYZNDXLPDNYDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-2-24-16-6-4-3-5-14(16)18(25)17(22-24)19(26)21-15-7-10-23(20(15)27)13-8-11-28-12-9-13/h3-6,13,15H,2,7-12H2,1H3,(H,21,26).
What are the key properties of 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide?
1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide is sourced from PubChem (CID 127398306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).