4-methoxy-5,6,7,8-tetrahydroquinazoline

C9H12N2O — CID 12933874

IUPAC4-methoxy-5,6,7,8-tetrahydroquinazoline
SMILESCOc1ncnc2c1CCCC2
InChIInChI=1S/C9H12N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h6H,2-5H2,1H3
InChIKeySWDFTYRJEBLCMG-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.36
Rot. Bonds1

About 4-methoxy-5,6,7,8-tetrahydroquinazoline

4-methoxy-5,6,7,8-tetrahydroquinazoline (PubChem CID 12933874) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-methoxy-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-methoxy-5,6,7,8-tetrahydroquinazoline
PubChem CID12933874
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-methoxy-5,6,7,8-tetrahydroquinazoline
SMILESCOc1ncnc2c1CCCC2
InChIInChI=1S/C9H12N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h6H,2-5H2,1H3
InChIKeySWDFTYRJEBLCMG-UHFFFAOYSA-N
XLogP1.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-methoxy-5,6,7,8-tetrahydroquinazoline (CID 12933874) is 4-methoxy-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-methoxy-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-methoxy-5,6,7,8-tetrahydroquinazoline is COc1ncnc2c1CCCC2.
What is the InChIKey of 4-methoxy-5,6,7,8-tetrahydroquinazoline?
The InChIKey is SWDFTYRJEBLCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h6H,2-5H2,1H3.
What are the key properties of 4-methoxy-5,6,7,8-tetrahydroquinazoline?
4-methoxy-5,6,7,8-tetrahydroquinazoline has a molecular weight of 164.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 12933874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).