N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide

C15H19N3O3 — CID 155236083

IUPACN-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
SMILESCOc1cc2ncnc(NC(=O)C(C)(C)C)c2cc1OC
InChIInChI=1S/C15H19N3O3/c1-15(2,3)14(19)18-13-9-6-11(20-4)12(21-5)7-10(9)16-8-17-13/h6-8H,1-5H3,(H,16,17,18,19)
InChIKeyCWUHVLGYNYLUQU-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.63
Rot. Bonds3

About N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide

N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide (PubChem CID 155236083) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
PubChem CID155236083
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
SMILESCOc1cc2ncnc(NC(=O)C(C)(C)C)c2cc1OC
InChIInChI=1S/C15H19N3O3/c1-15(2,3)14(19)18-13-9-6-11(20-4)12(21-5)7-10(9)16-8-17-13/h6-8H,1-5H3,(H,16,17,18,19)
InChIKeyCWUHVLGYNYLUQU-UHFFFAOYSA-N
XLogP2.63
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
CID 174885558
1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methylphenyl]-3,3-dimethylbutane-1,2-dione
CID 170967416
6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine
CID 68596713
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
(4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 122446171
2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid
CID 21002993
5-tert-butyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]selenophene-2-carboxamide
CID 86698279
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide (CID 155236083) is N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide is COc1cc2ncnc(NC(=O)C(C)(C)C)c2cc1OC.
What is the InChIKey of N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide?
The InChIKey is CWUHVLGYNYLUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2,3)14(19)18-13-9-6-11(20-4)12(21-5)7-10(9)16-8-17-13/h6-8H,1-5H3,(H,16,17,18,19).
What are the key properties of N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide?
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide has a molecular weight of 289.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 155236083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).