[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate

C22H20F4N4O4 — CID 134271520

IUPAC[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C)c3F)c2cc1OC(=O)N1CC[C@@H](OC(F)F)C1
InChIInChI=1S/C22H20F4N4O4/c1-11-14(23)3-4-15(19(11)24)29-20-13-7-18(17(32-2)8-16(13)27-10-28-20)34-22(31)30-6-5-12(9-30)33-21(25)26/h3-4,7-8,10,12,21H,5-6,9H2,1-2H3,(H,27,28,29)/t12-/m1/s1
InChIKeyWZNLYXCWGWGRKQ-GFCCVEGCSA-N
MW480.42 g/mol
LogP4.78
Rot. Bonds6

About [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate

[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate (PubChem CID 134271520) has the molecular formula C22H20F4N4O4 and a molecular weight of 480.42 g/mol. Its IUPAC name is [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate
PubChem CID134271520
Molecular FormulaC22H20F4N4O4
Molecular Weight480.42 g/mol
Exact Mass480.14
IUPAC Name[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C)c3F)c2cc1OC(=O)N1CC[C@@H](OC(F)F)C1
InChIInChI=1S/C22H20F4N4O4/c1-11-14(23)3-4-15(19(11)24)29-20-13-7-18(17(32-2)8-16(13)27-10-28-20)34-22(31)30-6-5-12(9-30)33-21(25)26/h3-4,7-8,10,12,21H,5-6,9H2,1-2H3,(H,27,28,29)/t12-/m1/s1
InChIKeyWZNLYXCWGWGRKQ-GFCCVEGCSA-N
XLogP4.78
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl] 4-(difluoromethoxymethyl)piperidine-1-carboxylate
CID 134271552
4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxamide
CID 142760923
tert-butyl (3R)-3-[4-(3-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypyrrolidine-1-carboxylate
CID 91421063
(E)-3-chloro-1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25124396
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylic acid
CID 69435585
1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethanone
CID 10433617
(Z)-4-[4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-4-oxobut-2-enoic acid
CID 59404865
1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 155242989
sodium 1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 54767761
1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxyazetidin-1-yl]-2-methylprop-2-en-1-one
CID 25127390
2-[4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-3-methyl-4-oxobut-2-enoic acid
CID 90788962
2-piperidin-1-ylethyl 4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylate
CID 11421816

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate (CID 134271520) is [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate is COc1cc2ncnc(Nc3ccc(F)c(C)c3F)c2cc1OC(=O)N1CC[C@@H](OC(F)F)C1.
What is the InChIKey of [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate?
The InChIKey is WZNLYXCWGWGRKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20F4N4O4/c1-11-14(23)3-4-15(19(11)24)29-20-13-7-18(17(32-2)8-16(13)27-10-28-20)34-22(31)30-6-5-12(9-30)33-21(25)26/h3-4,7-8,10,12,21H,5-6,9H2,1-2H3,(H,27,28,29)/t12-/m1/s1.
What are the key properties of [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate?
[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate has a molecular weight of 480.42 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 134271520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).