8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one

C17H19N3O — CID 57389063

IUPAC8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one
SMILESCc1cccc(Nc2ncc3c(n2)C(C)(C)CCC3=O)c1
InChIInChI=1S/C17H19N3O/c1-11-5-4-6-12(9-11)19-16-18-10-13-14(21)7-8-17(2,3)15(13)20-16/h4-6,9-10H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyLKNXEXHWNWMONZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.78
Rot. Bonds2

About 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one

8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one (PubChem CID 57389063) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one.

Molecular Properties

Compound Name8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one
PubChem CID57389063
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one
SMILESCc1cccc(Nc2ncc3c(n2)C(C)(C)CCC3=O)c1
InChIInChI=1S/C17H19N3O/c1-11-5-4-6-12(9-11)19-16-18-10-13-14(21)7-8-17(2,3)15(13)20-16/h4-6,9-10H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyLKNXEXHWNWMONZ-UHFFFAOYSA-N
XLogP3.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one?
The IUPAC name of 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one (CID 57389063) is 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one.
What is the SMILES notation for 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one?
The canonical SMILES for 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one is Cc1cccc(Nc2ncc3c(n2)C(C)(C)CCC3=O)c1.
What is the InChIKey of 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one?
The InChIKey is LKNXEXHWNWMONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-5-4-6-12(9-11)19-16-18-10-13-14(21)7-8-17(2,3)15(13)20-16/h4-6,9-10H,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one?
8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one has a molecular weight of 281.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2-(3-methylanilino)-6,7-dihydroquinazolin-5-one is sourced from PubChem (CID 57389063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).