9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline

C19H18FN3 — CID 57207380

IUPAC9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline
SMILESCC1(C)CN=C2C(c3ccccc3)=Nc3ccc(F)cc3N2C1
InChIInChI=1S/C19H18FN3/c1-19(2)11-21-18-17(13-6-4-3-5-7-13)22-15-9-8-14(20)10-16(15)23(18)12-19/h3-10H,11-12H2,1-2H3
InChIKeyGYCQOSJHBYEVKR-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.20
Rot. Bonds1

About 9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline

9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline (PubChem CID 57207380) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline
PubChem CID57207380
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline
SMILESCC1(C)CN=C2C(c3ccccc3)=Nc3ccc(F)cc3N2C1
InChIInChI=1S/C19H18FN3/c1-19(2)11-21-18-17(13-6-4-3-5-7-13)22-15-9-8-14(20)10-16(15)23(18)12-19/h3-10H,11-12H2,1-2H3
InChIKeyGYCQOSJHBYEVKR-UHFFFAOYSA-N
XLogP4.20
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
CID 16103
2,8-Difluoro-11-(4-Methylpiperazin-1-Yl)-5h-Dibenzo[b,E][1,4]diazepine
CID 137125256
4-(4-methyl-1-piperazinyl)-2-phenyl-3H-1,5-benzodiazepine
CID 12440687
2-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-3H-1,5-benzodiazepine
CID 12440691
5-phenyl-2-(p-tolyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline
CID 399104
2-(4-fluorophenyl)-4-(4-phenylpiperidin-1-yl)-3H-1,5-benzodiazepine
CID 12440699
2-[3,6-Dihydro-4-(4-methylphenyl)-1(2H)-pyridinyl]-4-phenyl-3H-1,5-benzodiazepine
CID 12440712
2-phenyl-4-(4-phenylpiperazin-1-yl)-3H-1,5-benzodiazepine
CID 12440719
1H-Imidazole, 4,5-dihydro-1,2-diphenyl-
CID 4120118
2,5-diphenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline
CID 399102
1H-Pyrimido[1,2-a]quinoxaline, 2,3-dihydro-5-phenyl-, 6-oxide
CID 11196683
5-benzyl-6-oxido-2,3-dihydro-1H-pyrimido[1,2-a]quinoxalin-6-ium
CID 12007500

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline?
The IUPAC name of 9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline (CID 57207380) is 9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline.
What is the SMILES notation for 9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline?
The canonical SMILES for 9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline is CC1(C)CN=C2C(c3ccccc3)=Nc3ccc(F)cc3N2C1.
What is the InChIKey of 9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline?
The InChIKey is GYCQOSJHBYEVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c1-19(2)11-21-18-17(13-6-4-3-5-7-13)22-15-9-8-14(20)10-16(15)23(18)12-19/h3-10H,11-12H2,1-2H3.
What are the key properties of 9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline?
9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline has a molecular weight of 307.37 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2,2-dimethyl-5-phenyl-1,3-dihydropyrimido[1,2-a]quinoxaline is sourced from PubChem (CID 57207380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).