5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one

C19H19FN2O — CID 139222368

IUPAC5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one
SMILESCC12CCCCN1c1ccccc1C(=O)N2c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O/c1-19-12-4-5-13-21(19)17-7-3-2-6-16(17)18(23)22(19)15-10-8-14(20)9-11-15/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyMHAHFZPDUKWQGM-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.19
Rot. Bonds1

About 5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one

5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one (PubChem CID 139222368) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one
PubChem CID139222368
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one
SMILESCC12CCCCN1c1ccccc1C(=O)N2c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O/c1-19-12-4-5-13-21(19)17-7-3-2-6-16(17)18(23)22(19)15-10-8-14(20)9-11-15/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyMHAHFZPDUKWQGM-UHFFFAOYSA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1-sulfanylcyclohexyl)isoindole-1,3-dione
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10-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one;hydrochloride
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CID 45496169
2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione
CID 122672767
(10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one
CID 135032726
19-fluoro-2-methyl-7,15-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16(21),17,19-heptaene-6,14-dione
CID 51355203
(2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one
CID 12067382
(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42554574
2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121410
2-(4-fluorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 53120617

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one (CID 139222368) is 5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one is CC12CCCCN1c1ccccc1C(=O)N2c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one?
The InChIKey is MHAHFZPDUKWQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-19-12-4-5-13-21(19)17-7-3-2-6-16(17)18(23)22(19)15-10-8-14(20)9-11-15/h2-3,6-11H,4-5,12-13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one?
5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one has a molecular weight of 310.37 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4a-methyl-1,2,3,4-tetrahydropyrido[1,2-a]quinazolin-6-one is sourced from PubChem (CID 139222368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).