2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one

C14H13N3O — CID 81312692

IUPAC2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(-c2ncc3c(n2)CCCC3=O)nc1
InChIInChI=1S/C14H13N3O/c1-9-5-6-12(15-7-9)14-16-8-10-11(17-14)3-2-4-13(10)18/h5-8H,2-4H2,1H3
InChIKeyNAJLEIRDTAYESY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.37
Rot. Bonds1

About 2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one

2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 81312692) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID81312692
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(-c2ncc3c(n2)CCCC3=O)nc1
InChIInChI=1S/C14H13N3O/c1-9-5-6-12(15-7-9)14-16-8-10-11(17-14)3-2-4-13(10)18/h5-8H,2-4H2,1H3
InChIKeyNAJLEIRDTAYESY-UHFFFAOYSA-N
XLogP2.37
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one (CID 81312692) is 2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(-c2ncc3c(n2)CCCC3=O)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is NAJLEIRDTAYESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-5-6-12(15-7-9)14-16-8-10-11(17-14)3-2-4-13(10)18/h5-8H,2-4H2,1H3.
What are the key properties of 2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 239.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 81312692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).