N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide

C24H20F3N5O — CID 25025909

IUPACN-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C24H20F3N5O/c1-28-23-31-20-5-3-2-4-19(20)21(32-23)29-14-15-6-12-18(13-7-15)30-22(33)16-8-10-17(11-9-16)24(25,26)27/h2-13H,14H2,1H3,(H,30,33)(H2,28,29,31,32)
InChIKeyISTRBVPLLRSCKS-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.55
Rot. Bonds6

About N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide

N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 25025909) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID25025909
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC NameN-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C24H20F3N5O/c1-28-23-31-20-5-3-2-4-19(20)21(32-23)29-14-15-6-12-18(13-7-15)30-22(33)16-8-10-17(11-9-16)24(25,26)27/h2-13H,14H2,1H3,(H,30,33)(H2,28,29,31,32)
InChIKeyISTRBVPLLRSCKS-UHFFFAOYSA-N
XLogP5.55
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
Bms-833923
CID 57662985
Senexin B
CID 71661259
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
Sgi-1027
CID 24858111
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-YL]benzamide
CID 15991575
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 16040281

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide (CID 25025909) is N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide is CNc1nc(NCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c2ccccc2n1.
What is the InChIKey of N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ISTRBVPLLRSCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-28-23-31-20-5-3-2-4-19(20)21(32-23)29-14-15-6-12-18(13-7-15)30-22(33)16-8-10-17(11-9-16)24(25,26)27/h2-13H,14H2,1H3,(H,30,33)(H2,28,29,31,32).
What are the key properties of N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide?
N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 451.45 g/mol, XLogP of 5.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 25025909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).