1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one

C16H24N2O3 — CID 82010171

IUPAC1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one
SMILESCCOC(CCN1C(=O)N(C)Cc2ccccc21)OCC
InChIInChI=1S/C16H24N2O3/c1-4-20-15(21-5-2)10-11-18-14-9-7-6-8-13(14)12-17(3)16(18)19/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyDOVXVQKRDJPZPM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.85
Rot. Bonds7

About 1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one

1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one (PubChem CID 82010171) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one
PubChem CID82010171
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one
SMILESCCOC(CCN1C(=O)N(C)Cc2ccccc21)OCC
InChIInChI=1S/C16H24N2O3/c1-4-20-15(21-5-2)10-11-18-14-9-7-6-8-13(14)12-17(3)16(18)19/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyDOVXVQKRDJPZPM-UHFFFAOYSA-N
XLogP2.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one?
The IUPAC name of 1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one (CID 82010171) is 1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one?
The canonical SMILES for 1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one is CCOC(CCN1C(=O)N(C)Cc2ccccc21)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one?
The InChIKey is DOVXVQKRDJPZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-20-15(21-5-2)10-11-18-14-9-7-6-8-13(14)12-17(3)16(18)19/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one?
1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one has a molecular weight of 292.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one is sourced from PubChem (CID 82010171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).