N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C26H24F3N5O2 — CID 165031012

IUPACN-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCN(C)c1ccc2c(Oc3ccc(N(C)C(=O)CCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1
InChIInChI=1S/C26H24F3N5O2/c1-33(2)19-8-11-21-22(14-19)31-16-32-25(21)36-20-9-6-18(7-10-20)34(3)24(35)13-5-17-4-12-23(30-15-17)26(27,28)29/h4,6-12,14-16H,5,13H2,1-3H3
InChIKeyMQRJIZVJOKELGO-UHFFFAOYSA-N
MW495.51 g/mol
LogP5.50
Rot. Bonds7

About N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 165031012) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID165031012
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC NameN-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCN(C)c1ccc2c(Oc3ccc(N(C)C(=O)CCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1
InChIInChI=1S/C26H24F3N5O2/c1-33(2)19-8-11-21-22(14-19)31-16-32-25(21)36-20-9-6-18(7-10-20)34(3)24(35)13-5-17-4-12-23(30-15-17)26(27,28)29/h4,6-12,14-16H,5,13H2,1-3H3
InChIKeyMQRJIZVJOKELGO-UHFFFAOYSA-N
XLogP5.50
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-1-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155206513
1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 164957876
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155195529
1-[4-[7-(1-methylpyrazol-3-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one
CID 165044044
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(1,3-thiazol-2-yl)butan-2-one
CID 164977612
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one
CID 164979475
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
CID 155206361
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 155206373
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea
CID 155206380
1-[4-[7-[4-(oxetan-3-yl)piperazin-1-yl]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155206387
N-hydroxy-2-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 172991562
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 165031012) is N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CN(C)c1ccc2c(Oc3ccc(N(C)C(=O)CCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1.
What is the InChIKey of N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is MQRJIZVJOKELGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-33(2)19-8-11-21-22(14-19)31-16-32-25(21)36-20-9-6-18(7-10-20)34(3)24(35)13-5-17-4-12-23(30-15-17)26(27,28)29/h4,6-12,14-16H,5,13H2,1-3H3.
What are the key properties of N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 495.51 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 165031012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).