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

C17H19N3O — CID 944643

IUPAC7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(20-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyQNTJTLOEIHXVSM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.68
Rot. Bonds2

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

7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one (PubChem CID 944643) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
PubChem CID944643
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(20-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyQNTJTLOEIHXVSM-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one (CID 944643) is 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one is Cc1ccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1.
What is the InChIKey of 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
The InChIKey is QNTJTLOEIHXVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(20-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one has a molecular weight of 281.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 944643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).