2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one

C17H19N3O — CID 16583938

IUPAC2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1nc(Nc2ccccc2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C17H19N3O/c1-11-15-13(9-17(2,3)10-14(15)21)20-16(18-11)19-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,18,19,20)
InChIKeyQXRUJLGSPRMUPO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.68
Rot. Bonds2

About 2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one

2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 16583938) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
PubChem CID16583938
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1nc(Nc2ccccc2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C17H19N3O/c1-11-15-13(9-17(2,3)10-14(15)21)20-16(18-11)19-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,18,19,20)
InChIKeyQXRUJLGSPRMUPO-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 2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one (CID 16583938) is 2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one is Cc1nc(Nc2ccccc2)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is QXRUJLGSPRMUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-15-13(9-17(2,3)10-14(15)21)20-16(18-11)19-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
2-anilino-4,7,7-trimethyl-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 2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 16583938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).