2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid

C15H16N2O4 — CID 61394701

IUPAC2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc2ccccc2c(=O)n1CC1CC1
InChIInChI=1S/C15H16N2O4/c18-14(19)9-21-8-13-16-12-4-2-1-3-11(12)15(20)17(13)7-10-5-6-10/h1-4,10H,5-9H2,(H,18,19)
InChIKeyITVAGHJAWBTLEF-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.41
Rot. Bonds6

About 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid

2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid (PubChem CID 61394701) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid
PubChem CID61394701
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc2ccccc2c(=O)n1CC1CC1
InChIInChI=1S/C15H16N2O4/c18-14(19)9-21-8-13-16-12-4-2-1-3-11(12)15(20)17(13)7-10-5-6-10/h1-4,10H,5-9H2,(H,18,19)
InChIKeyITVAGHJAWBTLEF-UHFFFAOYSA-N
XLogP1.41
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid (CID 61394701) is 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid is O=C(O)COCc1nc2ccccc2c(=O)n1CC1CC1.
What is the InChIKey of 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid?
The InChIKey is ITVAGHJAWBTLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-14(19)9-21-8-13-16-12-4-2-1-3-11(12)15(20)17(13)7-10-5-6-10/h1-4,10H,5-9H2,(H,18,19).
What are the key properties of 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid?
2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]methoxy]acetic acid is sourced from PubChem (CID 61394701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).