ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline

C11H18N2O — CID 142972458

IUPACethane;4-methoxy-1,2,3,4-tetrahydroquinazoline
SMILESCC.COC1NCNc2ccccc21
InChIInChI=1S/C9H12N2O.C2H6/c1-12-9-7-4-2-3-5-8(7)10-6-11-9;1-2/h2-5,9-11H,6H2,1H3;1-2H3
InChIKeyQTELCDYWMAYKFV-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.33
Rot. Bonds1

About ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline

ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline (PubChem CID 142972458) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Nameethane;4-methoxy-1,2,3,4-tetrahydroquinazoline
PubChem CID142972458
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;4-methoxy-1,2,3,4-tetrahydroquinazoline
SMILESCC.COC1NCNc2ccccc21
InChIInChI=1S/C9H12N2O.C2H6/c1-12-9-7-4-2-3-5-8(7)10-6-11-9;1-2/h2-5,9-11H,6H2,1H3;1-2H3
InChIKeyQTELCDYWMAYKFV-UHFFFAOYSA-N
XLogP2.33
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline (CID 142972458) is ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline is CC.COC1NCNc2ccccc21.
What is the InChIKey of ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline?
The InChIKey is QTELCDYWMAYKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-12-9-7-4-2-3-5-8(7)10-6-11-9;1-2/h2-5,9-11H,6H2,1H3;1-2H3.
What are the key properties of ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline?
ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline has a molecular weight of 194.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 142972458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).