2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide

C19H18BrF2N5O2 — CID 123897315

IUPAC2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide
SMILESCc1cc(Br)cc2ncnc(Nc3cccnc3OC(C)C(=O)NCC(F)F)c12
InChIInChI=1S/C19H18BrF2N5O2/c1-10-6-12(20)7-14-16(10)17(26-9-25-14)27-13-4-3-5-23-19(13)29-11(2)18(28)24-8-15(21)22/h3-7,9,11,15H,8H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyHTGDEQQKGDEDCK-UHFFFAOYSA-N
MW466.29 g/mol
LogP3.99
Rot. Bonds7

About 2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide

2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide (PubChem CID 123897315) has the molecular formula C19H18BrF2N5O2 and a molecular weight of 466.29 g/mol. Its IUPAC name is 2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide
PubChem CID123897315
Molecular FormulaC19H18BrF2N5O2
Molecular Weight466.29 g/mol
Exact Mass465.06
IUPAC Name2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide
SMILESCc1cc(Br)cc2ncnc(Nc3cccnc3OC(C)C(=O)NCC(F)F)c12
InChIInChI=1S/C19H18BrF2N5O2/c1-10-6-12(20)7-14-16(10)17(26-9-25-14)27-13-4-3-5-23-19(13)29-11(2)18(28)24-8-15(21)22/h3-7,9,11,15H,8H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyHTGDEQQKGDEDCK-UHFFFAOYSA-N
XLogP3.99
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(7-bromo-5-methoxyquinazolin-4-yl)amino]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)propanamide
CID 123694247
(2R)-2-[2-[(7-bromo-5-methoxyquinazolin-4-yl)amino]-5-fluorophenoxy]-N-(2,2-difluoropropyl)propanamide
CID 163867053
N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 58413307
4-N-[2-(4,4-difluorocyclohexyl)oxy-3-pyridinyl]-5-methylquinazoline-4,7-diamine;methanethiol
CID 144622867
1-[(3R,4R)-3-[[3-[[7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-yl]amino]-2-pyridinyl]oxy]-4-methoxypyrrolidin-1-yl]ethanone
CID 118145755
N-(cyanomethyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 58413298
methyl 5-methyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 58413383
5-methyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 53374891
1-[(3R,4R)-3-methoxy-4-[[3-[[5-methyl-7-[(1-oxothiolan-1-ylidene)amino]quinazolin-4-yl]amino]-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
CID 118146055
7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine
CID 165120441
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
(2R)-N-[(2S)-2-hydroxypropyl]-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
CID 11663125

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide?
The IUPAC name of 2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide (CID 123897315) is 2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide.
What is the SMILES notation for 2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide?
The canonical SMILES for 2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide is Cc1cc(Br)cc2ncnc(Nc3cccnc3OC(C)C(=O)NCC(F)F)c12.
What is the InChIKey of 2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide?
The InChIKey is HTGDEQQKGDEDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2N5O2/c1-10-6-12(20)7-14-16(10)17(26-9-25-14)27-13-4-3-5-23-19(13)29-11(2)18(28)24-8-15(21)22/h3-7,9,11,15H,8H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide?
2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide has a molecular weight of 466.29 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(7-bromo-5-methylquinazolin-4-yl)amino]-2-pyridinyl]oxy]-N-(2,2-difluoroethyl)propanamide is sourced from PubChem (CID 123897315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).