8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C18H16FN3O — CID 71112053

IUPAC8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1(F)CCc2nc3cc(-c4ccccn4)ccc3c(=O)n2C1
InChIInChI=1S/C18H16FN3O/c1-18(19)8-7-16-21-15-10-12(14-4-2-3-9-20-14)5-6-13(15)17(23)22(16)11-18/h2-6,9-10H,7-8,11H2,1H3
InChIKeyBKZNKXWDJQSTHW-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.13
Rot. Bonds1

About 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 71112053) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID71112053
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1(F)CCc2nc3cc(-c4ccccn4)ccc3c(=O)n2C1
InChIInChI=1S/C18H16FN3O/c1-18(19)8-7-16-21-15-10-12(14-4-2-3-9-20-14)5-6-13(15)17(23)22(16)11-18/h2-6,9-10H,7-8,11H2,1H3
InChIKeyBKZNKXWDJQSTHW-UHFFFAOYSA-N
XLogP3.13
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one with MolForge

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Related Compounds

8,8-dimethyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112145
14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one
CID 71112073
13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 71112349
8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112086
8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112100
3-(1-fluoro-3-pyridin-2-ylprop-2-ynyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112870
8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112621
1',1'-difluoro-3-(2-pyridin-2-ylethynyl)spiro[7,9-dihydro-6H-pyrido[2,1-b]quinazoline-8,2'-cyclopropane]-11-one
CID 71488669
6-pyridin-2-yl-1,9,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,9-tetraen-2-one
CID 71112031
8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112258
8-cyclopropyl-8-methyl-3-(2-pyridin-2-ylethynyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 90249508
8,8-difluoro-9-methyl-3-[(E)-2-pyridin-2-ylethenyl]-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one
CID 89285290

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 71112053) is 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC1(F)CCc2nc3cc(-c4ccccn4)ccc3c(=O)n2C1.
What is the InChIKey of 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is BKZNKXWDJQSTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-18(19)8-7-16-21-15-10-12(14-4-2-3-9-20-14)5-6-13(15)17(23)22(16)11-18/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 309.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 71112053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).