4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid

C16H19N3O2 — CID 83220460

IUPAC4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid
SMILESCCC1CCC(C)N1c1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H19N3O2/c1-3-11-9-8-10(2)19(11)15-12-6-4-5-7-13(12)17-14(18-15)16(20)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyARHJKKROCLLNPS-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.10
Rot. Bonds3

About 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid

4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid (PubChem CID 83220460) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid
PubChem CID83220460
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid
SMILESCCC1CCC(C)N1c1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H19N3O2/c1-3-11-9-8-10(2)19(11)15-12-6-4-5-7-13(12)17-14(18-15)16(20)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyARHJKKROCLLNPS-UHFFFAOYSA-N
XLogP3.10
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-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

6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 83219200
1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 83220143
4-methylquinazoline-2-carboxylic acid
CID 84770673
4-[4-(methanesulfonamido)piperidin-1-yl]quinazoline-2-carboxylic acid
CID 71895342
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 83224673
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid
CID 106314467
4-ethoxyquinazoline-2-carboxylic acid
CID 63869088
2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-methylpyridin-3-amine
CID 83217895
4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
CID 62406033
2-[(2R,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 167797542
4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid
CID 50852162
(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973317

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid (CID 83220460) is 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid is CCC1CCC(C)N1c1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid?
The InChIKey is ARHJKKROCLLNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-11-9-8-10(2)19(11)15-12-6-4-5-7-13(12)17-14(18-15)16(20)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid?
4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrrolidin-1-yl)quinazoline-2-carboxylic acid is sourced from PubChem (CID 83220460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).