3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate

C24H23N3O4 — CID 14551524

IUPAC3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate
SMILESN#Cc1c(N2CCOCC2)c(C(=O)OCCCc2ccccc2)c2ccccn2c1=O
InChIInChI=1S/C24H23N3O4/c25-17-19-22(26-12-15-30-16-13-26)21(20-10-4-5-11-27(20)23(19)28)24(29)31-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-16H2
InChIKeyOOFQOGISXKYJEJ-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.80
Rot. Bonds6

About 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate

3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate (PubChem CID 14551524) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Name3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate
PubChem CID14551524
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate
SMILESN#Cc1c(N2CCOCC2)c(C(=O)OCCCc2ccccc2)c2ccccn2c1=O
InChIInChI=1S/C24H23N3O4/c25-17-19-22(26-12-15-30-16-13-26)21(20-10-4-5-11-27(20)23(19)28)24(29)31-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-16H2
InChIKeyOOFQOGISXKYJEJ-UHFFFAOYSA-N
XLogP2.80
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate 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-Methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 71602492
Ethyl 3-cyano-2-(4-fluorophenyl)-4-oxoquinolizine-1-carboxylate
CID 15622472
3-Phenylpropyl 3-cyano-4-oxo-2-(2-pyrrolidin-1-ylethylamino)quinolizine-1-carboxylate
CID 14551504
3-Phenylpropyl 3-cyano-2-(cyclopropylmethylamino)-4-oxoquinolizine-1-carboxylate
CID 14551505
3-Phenylpropyl 3-cyano-4-oxo-2-(2-piperidin-1-ylethylamino)quinolizine-1-carboxylate
CID 14551506
Ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate
CID 14551512
Ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate
CID 14551513
3-Phenylpropyl 3-cyano-4-oxo-2-piperidin-1-ylquinolizine-1-carboxylate
CID 14551518
3-Phenylpropyl 3-cyano-4-oxo-2-pyrrolidin-1-ylquinolizine-1-carboxylate
CID 14551519
3-Phenylpropyl 3-cyano-2-(4-formylpiperazin-1-yl)-4-oxoquinolizine-1-carboxylate
CID 14551520
3-Phenylpropyl 3-cyano-2-(4-methylpiperazin-1-yl)-4-oxoquinolizine-1-carboxylate
CID 14551521
3-Phenylpropyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate
CID 14551522

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate?
The IUPAC name of 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate (CID 14551524) is 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate is N#Cc1c(N2CCOCC2)c(C(=O)OCCCc2ccccc2)c2ccccn2c1=O.
What is the InChIKey of 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate?
The InChIKey is OOFQOGISXKYJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c25-17-19-22(26-12-15-30-16-13-26)21(20-10-4-5-11-27(20)23(19)28)24(29)31-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-16H2.
What are the key properties of 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate?
3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate has a molecular weight of 417.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 14551524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).