methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate

C20H23N5O3 — CID 50961136

IUPACmethyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCCN(C(C)Cn1cnc3ccccc3c1=O)C2
InChIInChI=1S/C20H23N5O3/c1-14(11-24-13-21-17-7-4-3-6-16(17)19(24)26)23-8-5-9-25-15(12-23)10-18(22-25)20(27)28-2/h3-4,6-7,10,13-14H,5,8-9,11-12H2,1-2H3
InChIKeyNPIORUPZGMUVIV-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.67
Rot. Bonds4

About methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate

methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate (PubChem CID 50961136) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
PubChem CID50961136
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Namemethyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCCN(C(C)Cn1cnc3ccccc3c1=O)C2
InChIInChI=1S/C20H23N5O3/c1-14(11-24-13-21-17-7-4-3-6-16(17)19(24)26)23-8-5-9-25-15(12-23)10-18(22-25)20(27)28-2/h3-4,6-7,10,13-14H,5,8-9,11-12H2,1-2H3
InChIKeyNPIORUPZGMUVIV-UHFFFAOYSA-N
XLogP1.67
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate with MolForge

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95229580
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
[5-[(2R)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 95131101
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9400351
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
CID 110885190
methyl 5-[(E)-4-phenylbut-3-enoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50977815
3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one
CID 107506094
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52516514
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 71700635

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate?
The IUPAC name of methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate (CID 50961136) is methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate?
The canonical SMILES for methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate is COC(=O)c1cc2n(n1)CCCN(C(C)Cn1cnc3ccccc3c1=O)C2.
What is the InChIKey of methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate?
The InChIKey is NPIORUPZGMUVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14(11-24-13-21-17-7-4-3-6-16(17)19(24)26)23-8-5-9-25-15(12-23)10-18(22-25)20(27)28-2/h3-4,6-7,10,13-14H,5,8-9,11-12H2,1-2H3.
What are the key properties of methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate?
methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate is sourced from PubChem (CID 50961136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).