tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate

C25H32N4O6 — CID 171419876

IUPACtert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
SMILESCOCCOc1cc2ncnc(Nc3ccc(NC(=O)OC(C)(C)C)cc3)c2cc1OCCOC
InChIInChI=1S/C25H32N4O6/c1-25(2,3)35-24(30)29-18-8-6-17(7-9-18)28-23-19-14-21(33-12-10-31-4)22(34-13-11-32-5)15-20(19)26-16-27-23/h6-9,14-16H,10-13H2,1-5H3,(H,29,30)(H,26,27,28)
InChIKeyAUZXAJGTGUWFLB-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.77
Rot. Bonds11

About tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate

tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate (PubChem CID 171419876) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
PubChem CID171419876
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC Nametert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
SMILESCOCCOc1cc2ncnc(Nc3ccc(NC(=O)OC(C)(C)C)cc3)c2cc1OCCOC
InChIInChI=1S/C25H32N4O6/c1-25(2,3)35-24(30)29-18-8-6-17(7-9-18)28-23-19-14-21(33-12-10-31-4)22(34-13-11-32-5)15-20(19)26-16-27-23/h6-9,14-16H,10-13H2,1-5H3,(H,29,30)(H,26,27,28)
InChIKeyAUZXAJGTGUWFLB-UHFFFAOYSA-N
XLogP4.77
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
6,7-bis(2-methoxyethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
CID 141410537
[[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
CID 10301892
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
N-(1-adamantyl)-4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]benzamide
CID 127042644
N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide
CID 129010594
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
CID 143713379

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate (CID 171419876) is tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate is COCCOc1cc2ncnc(Nc3ccc(NC(=O)OC(C)(C)C)cc3)c2cc1OCCOC.
What is the InChIKey of tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate?
The InChIKey is AUZXAJGTGUWFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-25(2,3)35-24(30)29-18-8-6-17(7-9-18)28-23-19-14-21(33-12-10-31-4)22(34-13-11-32-5)15-20(19)26-16-27-23/h6-9,14-16H,10-13H2,1-5H3,(H,29,30)(H,26,27,28).
What are the key properties of tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate?
tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate has a molecular weight of 484.55 g/mol, XLogP of 4.77, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate is sourced from PubChem (CID 171419876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).