2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide

C25H21F3N4O3 — CID 163359995

IUPAC2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc2ncnc(Nc3cccc(C)c3)c2cc1OCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H21F3N4O3/c1-15-4-3-5-18(10-15)32-24-19-11-22(21(34-2)12-20(19)29-14-30-24)35-13-23(33)31-17-8-6-16(7-9-17)25(26,27)28/h3-12,14H,13H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyVXHMSAILJHDRHA-UHFFFAOYSA-N
MW482.46 g/mol
LogP5.73
Rot. Bonds7

About 2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide

2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 163359995) has the molecular formula C25H21F3N4O3 and a molecular weight of 482.46 g/mol. Its IUPAC name is 2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID163359995
Molecular FormulaC25H21F3N4O3
Molecular Weight482.46 g/mol
Exact Mass482.16
IUPAC Name2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc2ncnc(Nc3cccc(C)c3)c2cc1OCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H21F3N4O3/c1-15-4-3-5-18(10-15)32-24-19-11-22(21(34-2)12-20(19)29-14-30-24)35-13-23(33)31-17-8-6-16(7-9-17)25(26,27)28/h3-12,14H,13H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyVXHMSAILJHDRHA-UHFFFAOYSA-N
XLogP5.73
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.46
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 163360022
5-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-(4-sulfamoylphenyl)pentanamide
CID 164622206
4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 91576976
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
(E)-1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 155806889
6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 59813851
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate
CID 54546578

Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide (CID 163359995) is 2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide is COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VXHMSAILJHDRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3/c1-15-4-3-5-18(10-15)32-24-19-11-22(21(34-2)12-20(19)29-14-30-24)35-13-23(33)31-17-8-6-16(7-9-17)25(26,27)28/h3-12,14H,13H2,1-2H3,(H,31,33)(H,29,30,32).
What are the key properties of 2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 482.46 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 163359995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).