2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid

C17H17NO3 — CID 67246109

IUPAC2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid
SMILESCc1cc(C(C)(C)C(=O)O)nc2cc3c(cc12)OCC=C3
InChIInChI=1S/C17H17NO3/c1-10-7-15(17(2,3)16(19)20)18-13-8-11-5-4-6-21-14(11)9-12(10)13/h4-5,7-9H,6H2,1-3H3,(H,19,20)
InChIKeyHPYHCBXFFJLUHF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.31
Rot. Bonds2

About 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid

2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid (PubChem CID 67246109) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid
PubChem CID67246109
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid
SMILESCc1cc(C(C)(C)C(=O)O)nc2cc3c(cc12)OCC=C3
InChIInChI=1S/C17H17NO3/c1-10-7-15(17(2,3)16(19)20)18-13-8-11-5-4-6-21-14(11)9-12(10)13/h4-5,7-9H,6H2,1-3H3,(H,19,20)
InChIKeyHPYHCBXFFJLUHF-UHFFFAOYSA-N
XLogP3.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid 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 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid (CID 67246109) is 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid is Cc1cc(C(C)(C)C(=O)O)nc2cc3c(cc12)OCC=C3.
What is the InChIKey of 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid?
The InChIKey is HPYHCBXFFJLUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10-7-15(17(2,3)16(19)20)18-13-8-11-5-4-6-21-14(11)9-12(10)13/h4-5,7-9H,6H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid?
2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid is sourced from PubChem (CID 67246109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).