tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate

C21H24N4O4 — CID 171419898

IUPACtert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
SMILESCOc1cc2ncnc(Nc3ccc(NC(=O)OC(C)(C)C)cc3)c2cc1OC
InChIInChI=1S/C21H24N4O4/c1-21(2,3)29-20(26)25-14-8-6-13(7-9-14)24-19-15-10-17(27-4)18(28-5)11-16(15)22-12-23-19/h6-12H,1-5H3,(H,25,26)(H,22,23,24)
InChIKeyNUGGCYYJHUNRQY-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.74
Rot. Bonds5

About tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate

tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate (PubChem CID 171419898) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
PubChem CID171419898
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Nametert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
SMILESCOc1cc2ncnc(Nc3ccc(NC(=O)OC(C)(C)C)cc3)c2cc1OC
InChIInChI=1S/C21H24N4O4/c1-21(2,3)29-20(26)25-14-8-6-13(7-9-14)24-19-15-10-17(27-4)18(28-5)11-16(15)22-12-23-19/h6-12H,1-5H3,(H,25,26)(H,22,23,24)
InChIKeyNUGGCYYJHUNRQY-UHFFFAOYSA-N
XLogP4.74
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
CID 171419876
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
tert-butyl N-[4-[(5-fluoro-7-methoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419831
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate
CID 129010598
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide
CID 129010594
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
(E)-3-(3,5-dimethoxyphenyl)-1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-en-1-one
CID 155811238
propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate
CID 56954133

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate (CID 171419898) is tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate is COc1cc2ncnc(Nc3ccc(NC(=O)OC(C)(C)C)cc3)c2cc1OC.
What is the InChIKey of tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate?
The InChIKey is NUGGCYYJHUNRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-21(2,3)29-20(26)25-14-8-6-13(7-9-14)24-19-15-10-17(27-4)18(28-5)11-16(15)22-12-23-19/h6-12H,1-5H3,(H,25,26)(H,22,23,24).
What are the key properties of tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate?
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate has a molecular weight of 396.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate is sourced from PubChem (CID 171419898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).