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

C16H17N3O — CID 104823206

IUPAC7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one
SMILESCc1ccc(-c2ncc3c(n2)CC(C)(C)CC3=O)cn1
InChIInChI=1S/C16H17N3O/c1-10-4-5-11(8-17-10)15-18-9-12-13(19-15)6-16(2,3)7-14(12)20/h4-5,8-9H,6-7H2,1-3H3
InChIKeyARNLDNCLKXLPDP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.00
Rot. Bonds1

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

7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one (PubChem CID 104823206) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one
PubChem CID104823206
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one
SMILESCc1ccc(-c2ncc3c(n2)CC(C)(C)CC3=O)cn1
InChIInChI=1S/C16H17N3O/c1-10-4-5-11(8-17-10)15-18-9-12-13(19-15)6-16(2,3)7-14(12)20/h4-5,8-9H,6-7H2,1-3H3
InChIKeyARNLDNCLKXLPDP-UHFFFAOYSA-N
XLogP3.00
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one (CID 104823206) is 7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one is Cc1ccc(-c2ncc3c(n2)CC(C)(C)CC3=O)cn1.
What is the InChIKey of 7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one?
The InChIKey is ARNLDNCLKXLPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-4-5-11(8-17-10)15-18-9-12-13(19-15)6-16(2,3)7-14(12)20/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one has a molecular weight of 267.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(6-methyl-3-pyridinyl)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 104823206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).