tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate

C20H28N4O4 — CID 164869876

IUPACtert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate
SMILESCCOc1cc2nc[nH]c(=O)c2cc1NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H28N4O4/c1-5-27-17-11-15-14(18(25)22-12-21-15)10-16(17)23-13-6-8-24(9-7-13)19(26)28-20(2,3)4/h10-13,23H,5-9H2,1-4H3,(H,21,22,25)
InChIKeyQZHPLAUPOHBLCD-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.13
Rot. Bonds4

About tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate (PubChem CID 164869876) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate
PubChem CID164869876
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Nametert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate
SMILESCCOc1cc2nc[nH]c(=O)c2cc1NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H28N4O4/c1-5-27-17-11-15-14(18(25)22-12-21-15)10-16(17)23-13-6-8-24(9-7-13)19(26)28-20(2,3)4/h10-13,23H,5-9H2,1-4H3,(H,21,22,25)
InChIKeyQZHPLAUPOHBLCD-UHFFFAOYSA-N
XLogP3.13
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate
CID 172784029
tert-butyl (3S)-3-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-6-yl)oxy]pyrrolidine-1-carboxylate
CID 166538422
tert-butyl 4-(3H-benzimidazol-5-ylamino)piperidine-1-carboxylate
CID 22100837
tert-butyl 3-[(4-oxo-3H-quinazolin-6-yl)amino]azetidine-1-carboxylate
CID 164870318
tert-butyl 3-[(8-oxo-7H-pyrimido[5,4-d]pyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 156505213
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
ethyl 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 136973814
tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
CID 167931452
tert-butyl 4-[(3,6-dichloropyridazin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 144627218
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289
tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate
CID 130377904

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate (CID 164869876) is tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate is CCOc1cc2nc[nH]c(=O)c2cc1NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate?
The InChIKey is QZHPLAUPOHBLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-5-27-17-11-15-14(18(25)22-12-21-15)10-16(17)23-13-6-8-24(9-7-13)19(26)28-20(2,3)4/h10-13,23H,5-9H2,1-4H3,(H,21,22,25).
What are the key properties of tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 164869876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).