2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C27H24F3N3O4 — CID 170159674

IUPAC2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOCCOc1cc2ncnc(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OC
InChIInChI=1S/C27H24F3N3O4/c1-35-11-12-37-23-14-21-20(13-22(23)36-2)25(33-15-32-21)18-5-3-16(4-6-18)24(26(31)34)17-7-9-19(10-8-17)27(28,29)30/h3-10,13-15,24H,11-12H2,1-2H3,(H2,31,34)
InChIKeyYUIOGRNPILDHMV-UHFFFAOYSA-N
MW511.50 g/mol
LogP4.97
Rot. Bonds9

About 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 170159674) has the molecular formula C27H24F3N3O4 and a molecular weight of 511.50 g/mol. Its IUPAC name is 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID170159674
Molecular FormulaC27H24F3N3O4
Molecular Weight511.50 g/mol
Exact Mass511.17
IUPAC Name2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOCCOc1cc2ncnc(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OC
InChIInChI=1S/C27H24F3N3O4/c1-35-11-12-37-23-14-21-20(13-22(23)36-2)25(33-15-32-21)18-5-3-16(4-6-18)24(26(31)34)17-7-9-19(10-8-17)27(28,29)30/h3-10,13-15,24H,11-12H2,1-2H3,(H2,31,34)
InChIKeyYUIOGRNPILDHMV-UHFFFAOYSA-N
XLogP4.97
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170160385
2-[4-[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170160499
2-[4-[6-[3-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)propoxy]-7-methoxyquinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170160198
2-[2-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170160324
2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide
CID 175574364
2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione
CID 69325622
(E)-3-amino-3-[4-(aminomethyl)phenyl]-2-[4-(6,7-dimethoxyquinazolin-4-yl)phenyl]prop-2-enoic acid;hydrochloride
CID 175258585
3-[4-(7-hydroxy-6-methoxyquinazolin-4-yl)phenyl]propanamide
CID 170160312
6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline
CID 15891222
2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoic acid
CID 67264759
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
2-[4-[7-[(1-ethylpiperidin-3-yl)methoxy]-6-methoxyquinazolin-4-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 170160117

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 170159674) is 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is COCCOc1cc2ncnc(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OC.
What is the InChIKey of 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YUIOGRNPILDHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O4/c1-35-11-12-37-23-14-21-20(13-22(23)36-2)25(33-15-32-21)18-5-3-16(4-6-18)24(26(31)34)17-7-9-19(10-8-17)27(28,29)30/h3-10,13-15,24H,11-12H2,1-2H3,(H2,31,34).
What are the key properties of 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 511.50 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 170159674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).