2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide

C30H29F3N4O3 — CID 175574364

IUPAC2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc2c(-c3ccc(-c4cc(C(F)(F)F)ccc4CC(N)=O)cc3)ncnc2cc1OC1CCN(C)CC1
InChIInChI=1S/C30H29F3N4O3/c1-37-11-9-22(10-12-37)40-27-16-25-24(15-26(27)39-2)29(36-17-35-25)19-5-3-18(4-6-19)23-14-21(30(31,32)33)8-7-20(23)13-28(34)38/h3-8,14-17,22H,9-13H2,1-2H3,(H2,34,38)
InChIKeyBPLWPVAEODLRMN-UHFFFAOYSA-N
MW550.58 g/mol
LogP5.49
Rot. Bonds7

About 2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide

2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 175574364) has the molecular formula C30H29F3N4O3 and a molecular weight of 550.58 g/mol. Its IUPAC name is 2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide
PubChem CID175574364
Molecular FormulaC30H29F3N4O3
Molecular Weight550.58 g/mol
Exact Mass550.22
IUPAC Name2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc2c(-c3ccc(-c4cc(C(F)(F)F)ccc4CC(N)=O)cc3)ncnc2cc1OC1CCN(C)CC1
InChIInChI=1S/C30H29F3N4O3/c1-37-11-9-22(10-12-37)40-27-16-25-24(15-26(27)39-2)29(36-17-35-25)19-5-3-18(4-6-19)23-14-21(30(31,32)33)8-7-20(23)13-28(34)38/h3-8,14-17,22H,9-13H2,1-2H3,(H2,34,38)
InChIKeyBPLWPVAEODLRMN-UHFFFAOYSA-N
XLogP5.49
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.58
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170160499
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-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170159674
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-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170160385
6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 157251184
4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 91576976
2-[4-(6,7-dimethoxyquinazolin-4-yl)phenyl]pyrrolidine-1-sulfonamide
CID 164820131
2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)aniline
CID 19627084
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 58770728
[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 25056466
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide (CID 175574364) is 2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide is COc1cc2c(-c3ccc(-c4cc(C(F)(F)F)ccc4CC(N)=O)cc3)ncnc2cc1OC1CCN(C)CC1.
What is the InChIKey of 2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BPLWPVAEODLRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N4O3/c1-37-11-9-22(10-12-37)40-27-16-25-24(15-26(27)39-2)29(36-17-35-25)19-5-3-18(4-6-19)23-14-21(30(31,32)33)8-7-20(23)13-28(34)38/h3-8,14-17,22H,9-13H2,1-2H3,(H2,34,38).
What are the key properties of 2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide?
2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 550.58 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[6-methoxy-7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]phenyl]-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 175574364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).