3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one

C15H14N4O — CID 59213518

IUPAC3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one
SMILESCN(C)c1nc(-c2ccc[nH]c2=O)nc2ccccc12
InChIInChI=1S/C15H14N4O/c1-19(2)14-10-6-3-4-8-12(10)17-13(18-14)11-7-5-9-16-15(11)20/h3-9H,1-2H3,(H,16,20)
InChIKeyJPVWRFQOKUGDOM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.05
Rot. Bonds2

About 3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one

3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one (PubChem CID 59213518) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one
PubChem CID59213518
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one
SMILESCN(C)c1nc(-c2ccc[nH]c2=O)nc2ccccc12
InChIInChI=1S/C15H14N4O/c1-19(2)14-10-6-3-4-8-12(10)17-13(18-14)11-7-5-9-16-15(11)20/h3-9H,1-2H3,(H,16,20)
InChIKeyJPVWRFQOKUGDOM-UHFFFAOYSA-N
XLogP2.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one (CID 59213518) is 3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one is CN(C)c1nc(-c2ccc[nH]c2=O)nc2ccccc12.
What is the InChIKey of 3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one?
The InChIKey is JPVWRFQOKUGDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(2)14-10-6-3-4-8-12(10)17-13(18-14)11-7-5-9-16-15(11)20/h3-9H,1-2H3,(H,16,20).
What are the key properties of 3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one?
3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 59213518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).