2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

C20H25N3O2 — CID 667326

IUPAC2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCOCCCNc1ncc2c(n1)CC(c1ccc(C)cc1)CC2=O
InChIInChI=1S/C20H25N3O2/c1-3-25-10-4-9-21-20-22-13-17-18(23-20)11-16(12-19(17)24)15-7-5-14(2)6-8-15/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,21,22,23)
InChIKeyDUJICSUMCDKNLK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.54
Rot. Bonds7

About 2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 667326) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID667326
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCOCCCNc1ncc2c(n1)CC(c1ccc(C)cc1)CC2=O
InChIInChI=1S/C20H25N3O2/c1-3-25-10-4-9-21-20-22-13-17-18(23-20)11-16(12-19(17)24)15-7-5-14(2)6-8-15/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,21,22,23)
InChIKeyDUJICSUMCDKNLK-UHFFFAOYSA-N
XLogP3.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 663860
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664565
7-(3-chlorophenyl)-2-(morpholin-4-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665689
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-phenylpropanamide
CID 683031
2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
CID 878804
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(4-methylphenyl)-7,8-dihydroquinazolin-5(6H)-one
CID 4563710
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 4602970

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 667326) is 2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is CCOCCCNc1ncc2c(n1)CC(c1ccc(C)cc1)CC2=O.
What is the InChIKey of 2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is DUJICSUMCDKNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-25-10-4-9-21-20-22-13-17-18(23-20)11-16(12-19(17)24)15-7-5-14(2)6-8-15/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 339.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 667326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).