(2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one

C13H18N2O2 — CID 102027406

IUPAC(2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccc2c(c1)C(=O)N[C@H](CC(C)C)N2
InChIInChI=1S/C13H18N2O2/c1-8(2)6-12-14-11-5-4-9(17-3)7-10(11)13(16)15-12/h4-5,7-8,12,14H,6H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyZGVUBUMMQZJALX-GFCCVEGCSA-N
MW234.30 g/mol
LogP2.22
Rot. Bonds3

About (2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one

(2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 102027406) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID102027406
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccc2c(c1)C(=O)N[C@H](CC(C)C)N2
InChIInChI=1S/C13H18N2O2/c1-8(2)6-12-14-11-5-4-9(17-3)7-10(11)13(16)15-12/h4-5,7-8,12,14H,6H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyZGVUBUMMQZJALX-GFCCVEGCSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one (CID 102027406) is (2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one is COc1ccc2c(c1)C(=O)N[C@H](CC(C)C)N2.
What is the InChIKey of (2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is ZGVUBUMMQZJALX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)6-12-14-11-5-4-9(17-3)7-10(11)13(16)15-12/h4-5,7-8,12,14H,6H2,1-3H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one?
(2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 234.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methoxy-2-(2-methylpropyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 102027406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).