3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid

C18H23N3O2 — CID 167574720

IUPAC3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid
SMILESCc1cc2ncnc(N3CCC(CCC(=O)O)CC3)c2cc1C
InChIInChI=1S/C18H23N3O2/c1-12-9-15-16(10-13(12)2)19-11-20-18(15)21-7-5-14(6-8-21)3-4-17(22)23/h9-11,14H,3-8H2,1-2H3,(H,22,23)
InChIKeyGJEPMMZXRSZZDW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.33
Rot. Bonds4

About 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid

3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid (PubChem CID 167574720) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid
PubChem CID167574720
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid
SMILESCc1cc2ncnc(N3CCC(CCC(=O)O)CC3)c2cc1C
InChIInChI=1S/C18H23N3O2/c1-12-9-15-16(10-13(12)2)19-11-20-18(15)21-7-5-14(6-8-21)3-4-17(22)23/h9-11,14H,3-8H2,1-2H3,(H,22,23)
InChIKeyGJEPMMZXRSZZDW-UHFFFAOYSA-N
XLogP3.33
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-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 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid (CID 167574720) is 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid is Cc1cc2ncnc(N3CCC(CCC(=O)O)CC3)c2cc1C.
What is the InChIKey of 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid?
The InChIKey is GJEPMMZXRSZZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-9-15-16(10-13(12)2)19-11-20-18(15)21-7-5-14(6-8-21)3-4-17(22)23/h9-11,14H,3-8H2,1-2H3,(H,22,23).
What are the key properties of 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid?
3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid has a molecular weight of 313.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 167574720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).