4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid

C15H17N3O3 — CID 114797984

IUPAC4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(N3CCC(CCO)C3)ncnc2c1
InChIInChI=1S/C15H17N3O3/c19-6-4-10-3-5-18(8-10)14-12-2-1-11(15(20)21)7-13(12)16-9-17-14/h1-2,7,9-10,19H,3-6,8H2,(H,20,21)
InChIKeyPDWUYYKXSCVQJJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.54
Rot. Bonds4

About 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid

4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid (PubChem CID 114797984) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid
PubChem CID114797984
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(N3CCC(CCO)C3)ncnc2c1
InChIInChI=1S/C15H17N3O3/c19-6-4-10-3-5-18(8-10)14-12-2-1-11(15(20)21)7-13(12)16-9-17-14/h1-2,7,9-10,19H,3-6,8H2,(H,20,21)
InChIKeyPDWUYYKXSCVQJJ-UHFFFAOYSA-N
XLogP1.54
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid
CID 114678889
4-(3,4-dihydroxypyrrolidin-1-yl)quinazoline-7-carboxylic acid
CID 106669846
4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
CID 1414117
4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid
CID 63263123
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
CID 20982587
4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid
CID 106200426
4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
CID 114800924
4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid
CID 106200364
2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol
CID 157402306
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114797982
3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid
CID 167574720

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid?
The IUPAC name of 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid (CID 114797984) is 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid?
The canonical SMILES for 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(N3CCC(CCO)C3)ncnc2c1.
What is the InChIKey of 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid?
The InChIKey is PDWUYYKXSCVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-6-4-10-3-5-18(8-10)14-12-2-1-11(15(20)21)7-13(12)16-9-17-14/h1-2,7,9-10,19H,3-6,8H2,(H,20,21).
What are the key properties of 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid?
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid is sourced from PubChem (CID 114797984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).