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

C19H22N4O2 — CID 8852975

IUPACethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3cc(C)nn3c3ccccc23)CC1
InChIInChI=1S/C19H22N4O2/c1-3-25-19(24)14-8-10-22(11-9-14)18-15-6-4-5-7-16(15)23-17(20-18)12-13(2)21-23/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeyKCFYXMQHARMIGM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.97
Rot. Bonds3

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

ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate (PubChem CID 8852975) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate
PubChem CID8852975
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Nameethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3cc(C)nn3c3ccccc23)CC1
InChIInChI=1S/C19H22N4O2/c1-3-25-19(24)14-8-10-22(11-9-14)18-15-6-4-5-7-16(15)23-17(20-18)12-13(2)21-23/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeyKCFYXMQHARMIGM-UHFFFAOYSA-N
XLogP2.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate
CID 10112784
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
5-[(2S)-2-ethylpiperidin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline
CID 8933021
2-methyl-5-[4-(2-nitrophenyl)piperazin-1-yl]pyrazolo[1,5-a]quinazoline
CID 34044557
2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline
CID 8850818
ethyl (3R)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-3-carboxylate
CID 26009155
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
ethyl 1-[1-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate
CID 53129699
ethyl 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 664715
ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 23608410
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one
CID 138050625

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate (CID 8852975) is ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3cc(C)nn3c3ccccc23)CC1.
What is the InChIKey of ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate?
The InChIKey is KCFYXMQHARMIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-25-19(24)14-8-10-22(11-9-14)18-15-6-4-5-7-16(15)23-17(20-18)12-13(2)21-23/h4-7,12,14H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate?
ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate is sourced from PubChem (CID 8852975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).