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

C18H21N5O2 — CID 20921636

IUPACethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccccc3c3nnc(C)n23)CC1
InChIInChI=1S/C18H21N5O2/c1-3-25-17(24)13-8-10-22(11-9-13)18-19-15-7-5-4-6-14(15)16-21-20-12(2)23(16)18/h4-7,13H,3,8-11H2,1-2H3
InChIKeyKFOXCNFSELLBBR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.37
Rot. Bonds3

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

ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate (PubChem CID 20921636) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate
PubChem CID20921636
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Nameethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccccc3c3nnc(C)n23)CC1
InChIInChI=1S/C18H21N5O2/c1-3-25-17(24)13-8-10-22(11-9-13)18-19-15-7-5-4-6-14(15)16-21-20-12(2)23(16)18/h4-7,13H,3,8-11H2,1-2H3
InChIKeyKFOXCNFSELLBBR-UHFFFAOYSA-N
XLogP2.37
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (3R)-1-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperidine-3-carboxylate
CID 93329261
ethyl 1-[8-chloro-3-(2-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperidine-4-carboxylate
CID 42864342
ethyl 1-[3-(4-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperidine-3-carboxylate
CID 46044954
cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 92993144
ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 7145614
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
ethyl 1-[2-(4-bromophenyl)quinolin-4-yl]piperidine-4-carboxylate
CID 143206576
ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
CID 6620147
ethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-3-carboxylate
CID 103204945
ethyl 1-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)propanoyl]piperidine-4-carboxylate
CID 42972638
ethyl 1-[2-[[5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetyl]piperidine-3-carboxylate
CID 50814896
ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate
CID 118963928

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate (CID 20921636) is ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3ccccc3c3nnc(C)n23)CC1.
What is the InChIKey of ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate?
The InChIKey is KFOXCNFSELLBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-25-17(24)13-8-10-22(11-9-13)18-19-15-7-5-4-6-14(15)16-21-20-12(2)23(16)18/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate?
ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate is sourced from PubChem (CID 20921636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).