ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate

C15H22N6O2 — CID 140517908

IUPACethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate
SMILESCCOC(=O)C1C2=C(NN1CCCN)c1nc(N)ncc1CC2
InChIInChI=1S/C15H22N6O2/c1-2-23-14(22)13-10-5-4-9-8-18-15(17)19-11(9)12(10)20-21(13)7-3-6-16/h8,13,20H,2-7,16H2,1H3,(H2,17,18,19)
InChIKeyJTKRRUSBDFFYLM-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.18
Rot. Bonds5

About ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate

ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate (PubChem CID 140517908) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate
PubChem CID140517908
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Nameethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate
SMILESCCOC(=O)C1C2=C(NN1CCCN)c1nc(N)ncc1CC2
InChIInChI=1S/C15H22N6O2/c1-2-23-14(22)13-10-5-4-9-8-18-15(17)19-11(9)12(10)20-21(13)7-3-6-16/h8,13,20H,2-7,16H2,1H3,(H2,17,18,19)
InChIKeyJTKRRUSBDFFYLM-UHFFFAOYSA-N
XLogP-0.18
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate with MolForge

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Related Compounds

8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride
CID 140536461
1-methyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-amine
CID 167015903
ethyl 3-methyl-5-sulfanylidene-4H-imidazole-4-carboxylate
CID 21293722
ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate
CID 54613458
ethyl (5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazoline-8-carboxylate
CID 90296656
ethyl 2-amino-5-fluoropyrimidine-4-carboxylate
CID 130019307
ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate
CID 163748228
ethyl 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoate
CID 86695814
ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
CID 114719017
diethyl (3R,4S)-1-(2-aminoethyl)pyrrolidine-3,4-dicarboxylate
CID 59451023
ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 86330706
1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
CID 68679098

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate?
The IUPAC name of ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate (CID 140517908) is ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate is CCOC(=O)C1C2=C(NN1CCCN)c1nc(N)ncc1CC2.
What is the InChIKey of ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate?
The InChIKey is JTKRRUSBDFFYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-2-23-14(22)13-10-5-4-9-8-18-15(17)19-11(9)12(10)20-21(13)7-3-6-16/h8,13,20H,2-7,16H2,1H3,(H2,17,18,19).
What are the key properties of ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate?
ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate has a molecular weight of 318.38 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate is sourced from PubChem (CID 140517908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).