3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide

C19H19FN4O3 — CID 130310905

IUPAC3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
SMILESCOc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCC(N)=O
InChIInChI=1S/C19H19FN4O3/c1-11-3-4-14(13(20)7-11)24-19-12-8-16(26-2)17(27-6-5-18(21)25)9-15(12)22-10-23-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyUTXPALMSXUXRGH-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.08
Rot. Bonds7

About 3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide

3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide (PubChem CID 130310905) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide.

Molecular Properties

Compound Name3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
PubChem CID130310905
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
SMILESCOc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCC(N)=O
InChIInChI=1S/C19H19FN4O3/c1-11-3-4-14(13(20)7-11)24-19-12-8-16(26-2)17(27-6-5-18(21)25)9-15(12)22-10-23-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyUTXPALMSXUXRGH-UHFFFAOYSA-N
XLogP3.08
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane
CID 145016655
ethyl 4-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxybutanoate
CID 22478301
4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-methylidenebutanamide
CID 68625101
N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077494
7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide
CID 143778160
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 127028037
7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 127028038
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444
N-(4-chloro-2-fluorophenyl)-7-[2-[(2,6-dimethyl-4-pyridinyl)-methylamino]ethoxy]-6-methoxyquinazolin-4-amine
CID 22624991

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide?
The IUPAC name of 3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide (CID 130310905) is 3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide.
What is the SMILES notation for 3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide?
The canonical SMILES for 3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide is COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCC(N)=O.
What is the InChIKey of 3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide?
The InChIKey is UTXPALMSXUXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-11-3-4-14(13(20)7-11)24-19-12-8-16(26-2)17(27-6-5-18(21)25)9-15(12)22-10-23-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,22,23,24).
What are the key properties of 3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide?
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide has a molecular weight of 370.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide is sourced from PubChem (CID 130310905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).