2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one

C18H17FN4O — CID 54073013

IUPAC2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one
SMILESCc1ncccc1-n1c(C=CN(C)C)nc2ccc(F)cc2c1=O
InChIInChI=1S/C18H17FN4O/c1-12-16(5-4-9-20-12)23-17(8-10-22(2)3)21-15-7-6-13(19)11-14(15)18(23)24/h4-11H,1-3H3
InChIKeyMHUGAQKDUHQFQL-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.76
Rot. Bonds3

About 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one

2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one (PubChem CID 54073013) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one
PubChem CID54073013
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one
SMILESCc1ncccc1-n1c(C=CN(C)C)nc2ccc(F)cc2c1=O
InChIInChI=1S/C18H17FN4O/c1-12-16(5-4-9-20-12)23-17(8-10-22(2)3)21-15-7-6-13(19)11-14(15)18(23)24/h4-11H,1-3H3
InChIKeyMHUGAQKDUHQFQL-UHFFFAOYSA-N
XLogP2.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one?
The IUPAC name of 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one (CID 54073013) is 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one?
The canonical SMILES for 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one is Cc1ncccc1-n1c(C=CN(C)C)nc2ccc(F)cc2c1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one?
The InChIKey is MHUGAQKDUHQFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-16(5-4-9-20-12)23-17(8-10-22(2)3)21-15-7-6-13(19)11-14(15)18(23)24/h4-11H,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one?
2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one has a molecular weight of 324.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethenyl]-6-fluoro-3-(2-methyl-3-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 54073013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).