2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C16H17N3O2 — CID 104609415

IUPAC2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(Nc2ccccc2)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C16H17N3O2/c1-10-13-9-11(15(20)21)7-8-14(13)19-16(17-10)18-12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyUNKNXLLTJZHDEG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.72
Rot. Bonds3

About 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 104609415) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID104609415
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(Nc2ccccc2)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C16H17N3O2/c1-10-13-9-11(15(20)21)7-8-14(13)19-16(17-10)18-12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyUNKNXLLTJZHDEG-UHFFFAOYSA-N
XLogP2.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-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

4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423909
2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423149
4-methyl-2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81424548
(6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 92856144
4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423772
2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423769
2-anilino-4,6-dimethylpyrimidin-5-ol
CID 45097442
2-(ethylsulfanylmethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423913
2-[2-(dimethylamino)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 113291384
2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 116727439
4-methyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423151
(6S)-2-methyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxylic acid
CID 136882941

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 104609415) is 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is Cc1nc(Nc2ccccc2)nc2c1CC(C(=O)O)CC2.
What is the InChIKey of 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is UNKNXLLTJZHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-13-9-11(15(20)21)7-8-14(13)19-16(17-10)18-12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 104609415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).