methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate

C19H20N4O3 — CID 50951202

IUPACmethyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCCN(Cc1ccc3cccc(O)c3n1)C2
InChIInChI=1S/C19H20N4O3/c1-26-19(25)16-10-15-12-22(8-3-9-23(15)21-16)11-14-7-6-13-4-2-5-17(24)18(13)20-14/h2,4-7,10,24H,3,8-9,11-12H2,1H3
InChIKeyJZBYWWGTRRXVMA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.33
Rot. Bonds3

About methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate

methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate (PubChem CID 50951202) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
PubChem CID50951202
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namemethyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCCN(Cc1ccc3cccc(O)c3n1)C2
InChIInChI=1S/C19H20N4O3/c1-26-19(25)16-10-15-12-22(8-3-9-23(15)21-16)11-14-7-6-13-4-2-5-17(24)18(13)20-14/h2,4-7,10,24H,3,8-9,11-12H2,1H3
InChIKeyJZBYWWGTRRXVMA-UHFFFAOYSA-N
XLogP2.33
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50983299
methyl 5-(quinoline-8-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50981124
methyl 5-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50981247
methyl 5-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50970434
methyl 5-[(2-methoxyquinolin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50953445
3-[5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56915124
methyl 5-[(E)-4-phenylbut-3-enoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50977815
(2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 95221775
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118705226
tert-butyl 2-[4-[(8-hydroxyquinolin-2-yl)methyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 101465965
methyl 5-(3-pyridin-3-ylpropanoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50949120
methyl 5-[(8-methoxy-2H-chromen-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50979082

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate?
The IUPAC name of methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate (CID 50951202) is methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate.
What is the SMILES notation for methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate?
The canonical SMILES for methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate is COC(=O)c1cc2n(n1)CCCN(Cc1ccc3cccc(O)c3n1)C2.
What is the InChIKey of methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate?
The InChIKey is JZBYWWGTRRXVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-26-19(25)16-10-15-12-22(8-3-9-23(15)21-16)11-14-7-6-13-4-2-5-17(24)18(13)20-14/h2,4-7,10,24H,3,8-9,11-12H2,1H3.
What are the key properties of methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate?
methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(8-hydroxyquinolin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate is sourced from PubChem (CID 50951202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).