5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide

C19H22N4O3Se — CID 86698279

IUPAC5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide
SMILESCOc1cc2ncnc(Nc3cc(C(C)(C)C)[se]c3C(N)=O)c2cc1OC
InChIInChI=1S/C19H22N4O3Se/c1-19(2,3)15-8-12(16(27-15)17(20)24)23-18-10-6-13(25-4)14(26-5)7-11(10)21-9-22-18/h6-9H,1-5H3,(H2,20,24)(H,21,22,23)
InChIKeyWAYMGYFGLVXPEG-UHFFFAOYSA-N
MW433.37 g/mol
LogP2.84
Rot. Bonds5

About 5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide

5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide (PubChem CID 86698279) has the molecular formula C19H22N4O3Se and a molecular weight of 433.37 g/mol. Its IUPAC name is 5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide
PubChem CID86698279
Molecular FormulaC19H22N4O3Se
Molecular Weight433.37 g/mol
Exact Mass434.09
IUPAC Name5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide
SMILESCOc1cc2ncnc(Nc3cc(C(C)(C)C)[se]c3C(N)=O)c2cc1OC
InChIInChI=1S/C19H22N4O3Se/c1-19(2,3)15-8-12(16(27-15)17(20)24)23-18-10-6-13(25-4)14(26-5)7-11(10)21-9-22-18/h6-9H,1-5H3,(H2,20,24)(H,21,22,23)
InChIKeyWAYMGYFGLVXPEG-UHFFFAOYSA-N
XLogP2.84
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-3-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]selenophene-2-carboxamide
CID 86698292
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methylphenyl]-3,3-dimethylbutane-1,2-dione
CID 170967416
N-(5-tert-butyl-2-nitroselenophen-3-yl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 86698283
6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine
CID 16876526
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate
CID 7174370
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane
CID 145016655
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide (CID 86698279) is 5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide is COc1cc2ncnc(Nc3cc(C(C)(C)C)[se]c3C(N)=O)c2cc1OC.
What is the InChIKey of 5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide?
The InChIKey is WAYMGYFGLVXPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3Se/c1-19(2,3)15-8-12(16(27-15)17(20)24)23-18-10-6-13(25-4)14(26-5)7-11(10)21-9-22-18/h6-9H,1-5H3,(H2,20,24)(H,21,22,23).
What are the key properties of 5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide?
5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide has a molecular weight of 433.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide is sourced from PubChem (CID 86698279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).