3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid

C16H19N3O2 — CID 106983135

IUPAC3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C16H19N3O2/c1-11(2)16(15(20)21)7-8-19(9-16)14-12-5-3-4-6-13(12)17-10-18-14/h3-6,10-11H,7-9H2,1-2H3,(H,20,21)
InChIKeyYKNZZDRKLSEPFR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.57
Rot. Bonds3

About 3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid

3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983135) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid
PubChem CID106983135
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C16H19N3O2/c1-11(2)16(15(20)21)7-8-19(9-16)14-12-5-3-4-6-13(12)17-10-18-14/h3-6,10-11H,7-9H2,1-2H3,(H,20,21)
InChIKeyYKNZZDRKLSEPFR-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
CID 106983124
1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982984
1-(3-nitro-2-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982982
3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
CID 106983023
1-methyl-4-quinazolin-4-ylpiperazine-2-carboxylic acid
CID 178170042
(4-methyl-1-quinazolin-4-ylpiperidin-4-yl)methanamine
CID 107160471
1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983174
4-(azepan-1-yl)quinazoline
CID 5207391
4-quinazolin-4-ylthiomorpholine;urea
CID 171802297
2-propyl-1-quinazolin-4-ylpyrrolidine-2-carboxylic acid
CID 106977669
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126892410

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid (CID 106983135) is 3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(c2ncnc3ccccc23)C1.
What is the InChIKey of 3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid?
The InChIKey is YKNZZDRKLSEPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)16(15(20)21)7-8-19(9-16)14-12-5-3-4-6-13(12)17-10-18-14/h3-6,10-11H,7-9H2,1-2H3,(H,20,21).
What are the key properties of 3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid?
3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).