6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one

C14H13N3O — CID 170266196

IUPAC6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one
SMILESCc1ccncc1-c1ccc2c(c1)CNC(=O)N2
InChIInChI=1S/C14H13N3O/c1-9-4-5-15-8-12(9)10-2-3-13-11(6-10)7-16-14(18)17-13/h2-6,8H,7H2,1H3,(H2,16,17,18)
InChIKeyCYMPLYGAHSGPIF-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.69
Rot. Bonds1

About 6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one

6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 170266196) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one
PubChem CID170266196
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one
SMILESCc1ccncc1-c1ccc2c(c1)CNC(=O)N2
InChIInChI=1S/C14H13N3O/c1-9-4-5-15-8-12(9)10-2-3-13-11(6-10)7-16-14(18)17-13/h2-6,8H,7H2,1H3,(H2,16,17,18)
InChIKeyCYMPLYGAHSGPIF-UHFFFAOYSA-N
XLogP2.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one (CID 170266196) is 6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one is Cc1ccncc1-c1ccc2c(c1)CNC(=O)N2.
What is the InChIKey of 6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is CYMPLYGAHSGPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-4-5-15-8-12(9)10-2-3-13-11(6-10)7-16-14(18)17-13/h2-6,8H,7H2,1H3,(H2,16,17,18).
What are the key properties of 6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one?
6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 170266196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).