2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C14H14N2O3 — CID 81423149

IUPAC2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(-c2ccco2)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C14H14N2O3/c1-8-10-7-9(14(17)18)4-5-11(10)16-13(15-8)12-3-2-6-19-12/h2-3,6,9H,4-5,7H2,1H3,(H,17,18)
InChIKeyMFGGYLJLEJSHJO-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.23
Rot. Bonds2

About 2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423149) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423149
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(-c2ccco2)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C14H14N2O3/c1-8-10-7-9(14(17)18)4-5-11(10)16-13(15-8)12-3-2-6-19-12/h2-3,6,9H,4-5,7H2,1H3,(H,17,18)
InChIKeyMFGGYLJLEJSHJO-UHFFFAOYSA-N
XLogP2.23
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423149) is 2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is Cc1nc(-c2ccco2)nc2c1CC(C(=O)O)CC2.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is MFGGYLJLEJSHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-10-7-9(14(17)18)4-5-11(10)16-13(15-8)12-3-2-6-19-12/h2-3,6,9H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).