5,6,7,8-tetrahydroquinazoline-4-carboxylic acid

C9H10N2O2 — CID 82410140

IUPAC5,6,7,8-tetrahydroquinazoline-4-carboxylic acid
SMILESO=C(O)c1ncnc2c1CCCC2
InChIInChI=1S/C9H10N2O2/c12-9(13)8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2,(H,12,13)
InChIKeyPDRWMGAYENUEFR-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.05
Rot. Bonds1

About 5,6,7,8-tetrahydroquinazoline-4-carboxylic acid

5,6,7,8-tetrahydroquinazoline-4-carboxylic acid (PubChem CID 82410140) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinazoline-4-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinazoline-4-carboxylic acid
PubChem CID82410140
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5,6,7,8-tetrahydroquinazoline-4-carboxylic acid
SMILESO=C(O)c1ncnc2c1CCCC2
InChIInChI=1S/C9H10N2O2/c12-9(13)8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2,(H,12,13)
InChIKeyPDRWMGAYENUEFR-UHFFFAOYSA-N
XLogP1.05
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 83820048
CID 83820048
CID 82414980
CID 82414980
CID 187837
CID 187837
CID 14141454
CID 14141454
CID 163661550
CID 163661550
CID 163559819
CID 163559819
CID 164829686
CID 164829686
CID 83825226
CID 83825226
CID 165444213
CID 165444213
CID 168016912
CID 168016912
CID 168016922
CID 168016922
CID 168016940
CID 168016940

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinazoline-4-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydroquinazoline-4-carboxylic acid (CID 82410140) is 5,6,7,8-tetrahydroquinazoline-4-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydroquinazoline-4-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydroquinazoline-4-carboxylic acid is O=C(O)c1ncnc2c1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroquinazoline-4-carboxylic acid?
The InChIKey is PDRWMGAYENUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9(13)8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2,(H,12,13).
What are the key properties of 5,6,7,8-tetrahydroquinazoline-4-carboxylic acid?
5,6,7,8-tetrahydroquinazoline-4-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinazoline-4-carboxylic acid is sourced from PubChem (CID 82410140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).