tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate

C18H25N5O4 — CID 55561640

IUPACtert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESCCn1c(NNC(=O)C(C)NC(=O)OC(C)(C)C)nc2ccccc2c1=O
InChIInChI=1S/C18H25N5O4/c1-6-23-15(25)12-9-7-8-10-13(12)20-16(23)22-21-14(24)11(2)19-17(26)27-18(3,4)5/h7-11H,6H2,1-5H3,(H,19,26)(H,20,22)(H,21,24)
InChIKeyKUJYPESHXZWLGN-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.77
Rot. Bonds5

About tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate (PubChem CID 55561640) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate
PubChem CID55561640
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Nametert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESCCn1c(NNC(=O)C(C)NC(=O)OC(C)(C)C)nc2ccccc2c1=O
InChIInChI=1S/C18H25N5O4/c1-6-23-15(25)12-9-7-8-10-13(12)20-16(23)22-21-14(24)11(2)19-17(26)27-18(3,4)5/h7-11H,6H2,1-5H3,(H,19,26)(H,20,22)(H,21,24)
InChIKeyKUJYPESHXZWLGN-UHFFFAOYSA-N
XLogP1.77
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55941901
N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 24574726
2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
CID 55576050
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide
CID 24598212
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
2-(2,6-dichlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 51251509
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 165085489
3-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
CID 24645871
1-(2,2-dimethylpropanoyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-4-carbohydrazide
CID 18227266
2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 18139328
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate (CID 55561640) is tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate is CCn1c(NNC(=O)C(C)NC(=O)OC(C)(C)C)nc2ccccc2c1=O.
What is the InChIKey of tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The InChIKey is KUJYPESHXZWLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-6-23-15(25)12-9-7-8-10-13(12)20-16(23)22-21-14(24)11(2)19-17(26)27-18(3,4)5/h7-11H,6H2,1-5H3,(H,19,26)(H,20,22)(H,21,24).
What are the key properties of tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate has a molecular weight of 375.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 55561640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).