1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid

C24H21N3O2 — CID 134210616

IUPAC1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncnc3cccc(-c4ccc5ccccc5c4)c23)C1
InChIInChI=1S/C24H21N3O2/c28-24(29)19-7-4-12-27(14-19)23-22-20(8-3-9-21(22)25-15-26-23)18-11-10-16-5-1-2-6-17(16)13-18/h1-3,5-6,8-11,13,15,19H,4,7,12,14H2,(H,28,29)
InChIKeyPUQVYOIGOOISSF-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.75
Rot. Bonds3

About 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid

1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid (PubChem CID 134210616) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
PubChem CID134210616
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncnc3cccc(-c4ccc5ccccc5c4)c23)C1
InChIInChI=1S/C24H21N3O2/c28-24(29)19-7-4-12-27(14-19)23-22-20(8-3-9-21(22)25-15-26-23)18-11-10-16-5-1-2-6-17(16)13-18/h1-3,5-6,8-11,13,15,19H,4,7,12,14H2,(H,28,29)
InChIKeyPUQVYOIGOOISSF-UHFFFAOYSA-N
XLogP4.75
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-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

Related Compounds

1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220206
1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220226
(3R)-1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220358
(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220216
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide
CID 134210536
1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220212
1-[5-(1-benzofuran-4-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134210414
3-[1-[5-(3,5-dimethylphenyl)quinazolin-4-yl]piperidin-3-yl]-3-oxopropanoic acid
CID 142278514
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]-N-methylsulfanylpiperidine-3-carboxamide
CID 134220274
1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220166
1-[5-(3,4-dichlorophenyl)-7-methylquinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220246
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol
CID 134211393

Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid (CID 134210616) is 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ncnc3cccc(-c4ccc5ccccc5c4)c23)C1.
What is the InChIKey of 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is PUQVYOIGOOISSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-24(29)19-7-4-12-27(14-19)23-22-20(8-3-9-21(22)25-15-26-23)18-11-10-16-5-1-2-6-17(16)13-18/h1-3,5-6,8-11,13,15,19H,4,7,12,14H2,(H,28,29).
What are the key properties of 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 134210616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).