tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine

C40H58ClN7O6 — CID 161109692

IUPACtert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine
SMILESCCCC1CCNCC1.COc1cc2ncnc(Cl)c2cc1OC.COc1cc2ncnc(N3CCC(CCNC(=O)OC(C)(C)C)CC3)c2cc1OC
InChIInChI=1S/C22H32N4O4.C10H9ClN2O2.C8H17N/c1-22(2,3)30-21(27)23-9-6-15-7-10-26(11-8-15)20-16-12-18(28-4)19(29-5)13-17(16)24-14-25-20;1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11;1-2-3-8-4-6-9-7-5-8/h12-15H,6-11H2,1-5H3,(H,23,27);3-5H,1-2H3;8-9H,2-7H2,1H3
InChIKeyUJNHVWOARZQMTM-UHFFFAOYSA-N
MW768.40 g/mol
LogP7.86
Rot. Bonds10

About tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine

tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine (PubChem CID 161109692) has the molecular formula C40H58ClN7O6 and a molecular weight of 768.40 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine
PubChem CID161109692
Molecular FormulaC40H58ClN7O6
Molecular Weight768.40 g/mol
Exact Mass767.41
IUPAC Nametert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine
SMILESCCCC1CCNCC1.COc1cc2ncnc(Cl)c2cc1OC.COc1cc2ncnc(N3CCC(CCNC(=O)OC(C)(C)C)CC3)c2cc1OC
InChIInChI=1S/C22H32N4O4.C10H9ClN2O2.C8H17N/c1-22(2,3)30-21(27)23-9-6-15-7-10-26(11-8-15)20-16-12-18(28-4)19(29-5)13-17(16)24-14-25-20;1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11;1-2-3-8-4-6-9-7-5-8/h12-15H,6-11H2,1-5H3,(H,23,27);3-5H,1-2H3;8-9H,2-7H2,1H3
InChIKeyUJNHVWOARZQMTM-UHFFFAOYSA-N
XLogP7.86
TPSA142.08 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.40
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine 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 N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-N-[(2R)-pyrrolidine-2-carbonyl]carbamate
CID 57073559
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
tert-butyl 2-(4-chloro-6-methoxyquinazolin-7-yl)oxy-2-piperidin-4-ylacetate
CID 87909351
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
7-chloro-6-methoxy-4-[4-[2-(sulfinatoamino)ethyl]piperidin-1-yl]quinazoline
CID 155100120
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
N-(difluoromethylsulfanyl)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanamine
CID 142539742
tert-butyl 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylate
CID 11429163
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 158046171
4-chloro-6,7-dimethoxy-N,N-dimethylquinazolin-2-amine;4-chloro-6,7-dimethoxyquinazolin-2-amine;2-(dimethylamino)-6,7-dimethoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;4-[2-(sulfamoylamino)ethyl]piperidine
CID 158110696
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine?
The IUPAC name of tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine (CID 161109692) is tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine.
What is the SMILES notation for tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine?
The canonical SMILES for tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine is CCCC1CCNCC1.COc1cc2ncnc(Cl)c2cc1OC.COc1cc2ncnc(N3CCC(CCNC(=O)OC(C)(C)C)CC3)c2cc1OC.
What is the InChIKey of tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine?
The InChIKey is UJNHVWOARZQMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4.C10H9ClN2O2.C8H17N/c1-22(2,3)30-21(27)23-9-6-15-7-10-26(11-8-15)20-16-12-18(28-4)19(29-5)13-17(16)24-14-25-20;1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11;1-2-3-8-4-6-9-7-5-8/h12-15H,6-11H2,1-5H3,(H,23,27);3-5H,1-2H3;8-9H,2-7H2,1H3.
What are the key properties of tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine?
tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine has a molecular weight of 768.40 g/mol, XLogP of 7.86, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine is sourced from PubChem (CID 161109692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).