1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid

C23H24N4O3 — CID 3234660

IUPAC1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCC(C(=O)O)CC4)c3c2)cc1
InChIInChI=1S/C23H24N4O3/c1-26(2)22(28)16-5-3-15(4-6-16)18-7-8-20-19(13-18)21(25-14-24-20)27-11-9-17(10-12-27)23(29)30/h3-8,13-14,17H,9-12H2,1-2H3,(H,29,30)
InChIKeyHOUQLBWECNACGO-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.30
Rot. Bonds4

About 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid

1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid (PubChem CID 3234660) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid
PubChem CID3234660
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCC(C(=O)O)CC4)c3c2)cc1
InChIInChI=1S/C23H24N4O3/c1-26(2)22(28)16-5-3-15(4-6-16)18-7-8-20-19(13-18)21(25-14-24-20)27-11-9-17(10-12-27)23(29)30/h3-8,13-14,17H,9-12H2,1-2H3,(H,29,30)
InChIKeyHOUQLBWECNACGO-UHFFFAOYSA-N
XLogP3.30
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic 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 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid (CID 3234660) is 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid is CN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCC(C(=O)O)CC4)c3c2)cc1.
What is the InChIKey of 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is HOUQLBWECNACGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26(2)22(28)16-5-3-15(4-6-16)18-7-8-20-19(13-18)21(25-14-24-20)27-11-9-17(10-12-27)23(29)30/h3-8,13-14,17H,9-12H2,1-2H3,(H,29,30).
What are the key properties of 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid?
1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 404.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(dimethylcarbamoyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3234660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).