2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C18H21N3O — CID 1416467

IUPAC2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCc1ccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C18H21N3O/c1-4-12-5-7-13(8-6-12)20-17-19-11-14-15(21-17)9-18(2,3)10-16(14)22/h5-8,11H,4,9-10H2,1-3H3,(H,19,20,21)
InChIKeyOUWOUICAXVWGOV-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.94
Rot. Bonds3

About 2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 1416467) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID1416467
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCc1ccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C18H21N3O/c1-4-12-5-7-13(8-6-12)20-17-19-11-14-15(21-17)9-18(2,3)10-16(14)22/h5-8,11H,4,9-10H2,1-3H3,(H,19,20,21)
InChIKeyOUWOUICAXVWGOV-UHFFFAOYSA-N
XLogP3.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 1416467) is 2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CCc1ccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1.
What is the InChIKey of 2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is OUWOUICAXVWGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-12-5-7-13(8-6-12)20-17-19-11-14-15(21-17)9-18(2,3)10-16(14)22/h5-8,11H,4,9-10H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 295.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 1416467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).