4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one

C19H21N3O — CID 159857204

IUPAC4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one
SMILESCC1=C(C)C(=O)N=C(Cc2nc(C)c3cc(C)cc(C)c3n2)C1
InChIInChI=1S/C19H21N3O/c1-10-6-12(3)18-16(7-10)14(5)20-17(22-18)9-15-8-11(2)13(4)19(23)21-15/h6-7H,8-9H2,1-5H3
InChIKeyNQRGOULYALAHFJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.81
Rot. Bonds2

About 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one

4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one (PubChem CID 159857204) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one
PubChem CID159857204
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one
SMILESCC1=C(C)C(=O)N=C(Cc2nc(C)c3cc(C)cc(C)c3n2)C1
InChIInChI=1S/C19H21N3O/c1-10-6-12(3)18-16(7-10)14(5)20-17(22-18)9-15-8-11(2)13(4)19(23)21-15/h6-7H,8-9H2,1-5H3
InChIKeyNQRGOULYALAHFJ-UHFFFAOYSA-N
XLogP3.81
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one?
The IUPAC name of 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one (CID 159857204) is 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one is CC1=C(C)C(=O)N=C(Cc2nc(C)c3cc(C)cc(C)c3n2)C1.
What is the InChIKey of 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one?
The InChIKey is NQRGOULYALAHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-10-6-12(3)18-16(7-10)14(5)20-17(22-18)9-15-8-11(2)13(4)19(23)21-15/h6-7H,8-9H2,1-5H3.
What are the key properties of 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one?
4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one has a molecular weight of 307.40 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)methyl]-3H-pyridin-6-one is sourced from PubChem (CID 159857204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).