ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate

C23H22FN5O2 — CID 10112784

IUPACethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3c(-c4ccccc4F)nnn3c3ccccc23)CC1
InChIInChI=1S/C23H22FN5O2/c1-2-31-23(30)15-11-13-28(14-12-15)21-17-8-4-6-10-19(17)29-22(25-21)20(26-27-29)16-7-3-5-9-18(16)24/h3-10,15H,2,11-14H2,1H3
InChIKeyCIGDWNKYAZOGPC-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.86
Rot. Bonds4

About ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate

ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate (PubChem CID 10112784) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate
PubChem CID10112784
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Nameethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3c(-c4ccccc4F)nnn3c3ccccc23)CC1
InChIInChI=1S/C23H22FN5O2/c1-2-31-23(30)15-11-13-28(14-12-15)21-17-8-4-6-10-19(17)29-22(25-21)20(26-27-29)16-7-3-5-9-18(16)24/h3-10,15H,2,11-14H2,1H3
InChIKeyCIGDWNKYAZOGPC-UHFFFAOYSA-N
XLogP3.86
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one
CID 10201996
ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate
CID 8852975
ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate
CID 2816171
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
ethyl (3R)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-3-carboxylate
CID 26009155
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
CID 6620147
1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 4523705
ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 4015862
5-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazoline
CID 18590298
ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate
CID 20921636
ethyl 1-[5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142199

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate (CID 10112784) is ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3c(-c4ccccc4F)nnn3c3ccccc23)CC1.
What is the InChIKey of ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate?
The InChIKey is CIGDWNKYAZOGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-2-31-23(30)15-11-13-28(14-12-15)21-17-8-4-6-10-19(17)29-22(25-21)20(26-27-29)16-7-3-5-9-18(16)24/h3-10,15H,2,11-14H2,1H3.
What are the key properties of ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate?
ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate has a molecular weight of 419.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate is sourced from PubChem (CID 10112784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).