2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one

C17H17NO3 — CID 90348337

IUPAC2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one
SMILESCCCCc1cc2c(cnc3ccc(OC)cc32)oc1=O
InChIInChI=1S/C17H17NO3/c1-3-4-5-11-8-14-13-9-12(20-2)6-7-15(13)18-10-16(14)21-17(11)19/h6-10H,3-5H2,1-2H3
InChIKeyLYBPTZZIVRWJNU-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.69
Rot. Bonds4

About 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one

2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one (PubChem CID 90348337) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one
PubChem CID90348337
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one
SMILESCCCCc1cc2c(cnc3ccc(OC)cc32)oc1=O
InChIInChI=1S/C17H17NO3/c1-3-4-5-11-8-14-13-9-12(20-2)6-7-15(13)18-10-16(14)21-17(11)19/h6-10H,3-5H2,1-2H3
InChIKeyLYBPTZZIVRWJNU-UHFFFAOYSA-N
XLogP3.69
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one 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

1,2-dibutyl-4-methoxybenzene
CID 153315966
2-butylbenzo[f]chromen-3-one
CID 162410575
4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
CID 89139556
2-butyl-5-methoxybenzaldehyde
CID 10631601
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
3-hexoxy-4-hydroxy-7-methoxychromen-2-one
CID 54694152
6-decoxy-3-hydroxy-4-methoxychromen-2-one
CID 19929351
3-[3-(4-methoxyanilino)propyl]chromen-2-one
CID 50941620
1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
CID 147949604
5-methoxy-7-pentyl-3-(pyridin-4-ylmethyl)chromen-2-one
CID 164626287

Frequently Asked Questions

What is the IUPAC name of 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one?
The IUPAC name of 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one (CID 90348337) is 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one.
What is the SMILES notation for 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one?
The canonical SMILES for 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one is CCCCc1cc2c(cnc3ccc(OC)cc32)oc1=O.
What is the InChIKey of 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one?
The InChIKey is LYBPTZZIVRWJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-4-5-11-8-14-13-9-12(20-2)6-7-15(13)18-10-16(14)21-17(11)19/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one?
2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one has a molecular weight of 283.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one is sourced from PubChem (CID 90348337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).