methyl 4,8-dihydroquinazoline-7-carboxylate

C10H10N2O2 — CID 151741956

IUPACmethyl 4,8-dihydroquinazoline-7-carboxylate
SMILESCOC(=O)C1=CC=C2CN=CN=C2C1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)7-2-3-8-5-11-6-12-9(8)4-7/h2-3,6H,4-5H2,1H3
InChIKeyRMSKSAVIRILIPK-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.90
Rot. Bonds1

About methyl 4,8-dihydroquinazoline-7-carboxylate

methyl 4,8-dihydroquinazoline-7-carboxylate (PubChem CID 151741956) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 4,8-dihydroquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4,8-dihydroquinazoline-7-carboxylate
PubChem CID151741956
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 4,8-dihydroquinazoline-7-carboxylate
SMILESCOC(=O)C1=CC=C2CN=CN=C2C1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)7-2-3-8-5-11-6-12-9(8)4-7/h2-3,6H,4-5H2,1H3
InChIKeyRMSKSAVIRILIPK-UHFFFAOYSA-N
XLogP0.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4,8-dihydroquinazoline-7-carboxylate 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 methyl 4,8-dihydroquinazoline-7-carboxylate?
The IUPAC name of methyl 4,8-dihydroquinazoline-7-carboxylate (CID 151741956) is methyl 4,8-dihydroquinazoline-7-carboxylate.
What is the SMILES notation for methyl 4,8-dihydroquinazoline-7-carboxylate?
The canonical SMILES for methyl 4,8-dihydroquinazoline-7-carboxylate is COC(=O)C1=CC=C2CN=CN=C2C1.
What is the InChIKey of methyl 4,8-dihydroquinazoline-7-carboxylate?
The InChIKey is RMSKSAVIRILIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(13)7-2-3-8-5-11-6-12-9(8)4-7/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 4,8-dihydroquinazoline-7-carboxylate?
methyl 4,8-dihydroquinazoline-7-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,8-dihydroquinazoline-7-carboxylate is sourced from PubChem (CID 151741956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).