2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one

C16H17N3O — CID 665694

IUPAC2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cc(C)cc(Nc2ncc3c(n2)CCCC3=O)c1
InChIInChI=1S/C16H17N3O/c1-10-6-11(2)8-12(7-10)18-16-17-9-13-14(19-16)4-3-5-15(13)20/h6-9H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyUSZPQRMQYJIDII-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.36
Rot. Bonds2

About 2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one

2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665694) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665694
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cc(C)cc(Nc2ncc3c(n2)CCCC3=O)c1
InChIInChI=1S/C16H17N3O/c1-10-6-11(2)8-12(7-10)18-16-17-9-13-14(19-16)4-3-5-15(13)20/h6-9H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyUSZPQRMQYJIDII-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 665694) is 2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one is Cc1cc(C)cc(Nc2ncc3c(n2)CCCC3=O)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is USZPQRMQYJIDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-6-11(2)8-12(7-10)18-16-17-9-13-14(19-16)4-3-5-15(13)20/h6-9H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one?
2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 267.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).