2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid

C10H12N2O2 — CID 142782952

IUPAC2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid
SMILESO=C(O)CN1CNc2ccccc2C1
InChIInChI=1S/C10H12N2O2/c13-10(14)6-12-5-8-3-1-2-4-9(8)11-7-12/h1-4,11H,5-7H2,(H,13,14)
InChIKeyQPOBOBMSVBADKY-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.96
Rot. Bonds2

About 2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid

2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid (PubChem CID 142782952) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid
PubChem CID142782952
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid
SMILESO=C(O)CN1CNc2ccccc2C1
InChIInChI=1S/C10H12N2O2/c13-10(14)6-12-5-8-3-1-2-4-9(8)11-7-12/h1-4,11H,5-7H2,(H,13,14)
InChIKeyQPOBOBMSVBADKY-UHFFFAOYSA-N
XLogP0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[25-(carboxymethyl)-9-oxa-1,17,20,25-tetrazatetracyclo[15.5.5.03,8.010,15]heptacosa-3,5,7,10,12,14-hexaen-20-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid?
The IUPAC name of 2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid (CID 142782952) is 2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid?
The canonical SMILES for 2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid is O=C(O)CN1CNc2ccccc2C1.
What is the InChIKey of 2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid?
The InChIKey is QPOBOBMSVBADKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)6-12-5-8-3-1-2-4-9(8)11-7-12/h1-4,11H,5-7H2,(H,13,14).
What are the key properties of 2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid?
2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid has a molecular weight of 192.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydro-1H-quinazolin-3-yl)acetic acid is sourced from PubChem (CID 142782952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).