2-(1,2-dihydroquinazolin-2-yl)acetic acid

C10H10N2O2 — CID 22267932

IUPAC2-(1,2-dihydroquinazolin-2-yl)acetic acid
SMILESO=C(O)CC1N=Cc2ccccc2N1
InChIInChI=1S/C10H10N2O2/c13-10(14)5-9-11-6-7-3-1-2-4-8(7)12-9/h1-4,6,9,12H,5H2,(H,13,14)
InChIKeySNTGHASAODNGHV-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.33
Rot. Bonds2

About 2-(1,2-dihydroquinazolin-2-yl)acetic acid

2-(1,2-dihydroquinazolin-2-yl)acetic acid (PubChem CID 22267932) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(1,2-dihydroquinazolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2-dihydroquinazolin-2-yl)acetic acid
PubChem CID22267932
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(1,2-dihydroquinazolin-2-yl)acetic acid
SMILESO=C(O)CC1N=Cc2ccccc2N1
InChIInChI=1S/C10H10N2O2/c13-10(14)5-9-11-6-7-3-1-2-4-8(7)12-9/h1-4,6,9,12H,5H2,(H,13,14)
InChIKeySNTGHASAODNGHV-UHFFFAOYSA-N
XLogP1.33
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroquinazolin-2-yl)acetic acid?
The IUPAC name of 2-(1,2-dihydroquinazolin-2-yl)acetic acid (CID 22267932) is 2-(1,2-dihydroquinazolin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,2-dihydroquinazolin-2-yl)acetic acid?
The canonical SMILES for 2-(1,2-dihydroquinazolin-2-yl)acetic acid is O=C(O)CC1N=Cc2ccccc2N1.
What is the InChIKey of 2-(1,2-dihydroquinazolin-2-yl)acetic acid?
The InChIKey is SNTGHASAODNGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-10(14)5-9-11-6-7-3-1-2-4-8(7)12-9/h1-4,6,9,12H,5H2,(H,13,14).
What are the key properties of 2-(1,2-dihydroquinazolin-2-yl)acetic acid?
2-(1,2-dihydroquinazolin-2-yl)acetic acid has a molecular weight of 190.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroquinazolin-2-yl)acetic acid is sourced from PubChem (CID 22267932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).