8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one

C24H25NO5 — CID 25265819

IUPAC8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C(=O)N3CCCc4ccccc43)c(OC)cc(OC)c12
InChIInChI=1S/C24H25NO5/c1-4-8-16-13-20(26)30-23-21(16)18(28-2)14-19(29-3)22(23)24(27)25-12-7-10-15-9-5-6-11-17(15)25/h5-6,9,11,13-14H,4,7-8,10,12H2,1-3H3
InChIKeyLRPUQCTZOSTSGL-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.36
Rot. Bonds5

About 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one

8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one (PubChem CID 25265819) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one.

Molecular Properties

Compound Name8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one
PubChem CID25265819
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C(=O)N3CCCc4ccccc43)c(OC)cc(OC)c12
InChIInChI=1S/C24H25NO5/c1-4-8-16-13-20(26)30-23-21(16)18(28-2)14-19(29-3)22(23)24(27)25-12-7-10-15-9-5-6-11-17(15)25/h5-6,9,11,13-14H,4,7-8,10,12H2,1-3H3
InChIKeyLRPUQCTZOSTSGL-UHFFFAOYSA-N
XLogP4.36
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one?
The IUPAC name of 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one (CID 25265819) is 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one.
What is the SMILES notation for 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one?
The canonical SMILES for 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one is CCCc1cc(=O)oc2c(C(=O)N3CCCc4ccccc43)c(OC)cc(OC)c12.
What is the InChIKey of 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one?
The InChIKey is LRPUQCTZOSTSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-4-8-16-13-20(26)30-23-21(16)18(28-2)14-19(29-3)22(23)24(27)25-12-7-10-15-9-5-6-11-17(15)25/h5-6,9,11,13-14H,4,7-8,10,12H2,1-3H3.
What are the key properties of 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one?
8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one has a molecular weight of 407.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one is sourced from PubChem (CID 25265819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).