2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide

C20H20F3N5O — CID 123566147

IUPAC2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
SMILESCNCC(Nc1nc(C)nc2c(C(N)=O)cccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N5O/c1-11-26-17-14(18(24)29)4-3-5-15(17)19(27-11)28-16(10-25-2)12-6-8-13(9-7-12)20(21,22)23/h3-9,16,25H,10H2,1-2H3,(H2,24,29)(H,26,27,28)
InChIKeyBGVDBKXEYYGKCK-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.43
Rot. Bonds6

About 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide

2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide (PubChem CID 123566147) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
PubChem CID123566147
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
SMILESCNCC(Nc1nc(C)nc2c(C(N)=O)cccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N5O/c1-11-26-17-14(18(24)29)4-3-5-15(17)19(27-11)28-16(10-25-2)12-6-8-13(9-7-12)20(21,22)23/h3-9,16,25H,10H2,1-2H3,(H2,24,29)(H,26,27,28)
InChIKeyBGVDBKXEYYGKCK-UHFFFAOYSA-N
XLogP3.43
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide with MolForge

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Related Compounds

4-[[1-(5-fluoro-2-methoxyphenyl)-2-(methylamino)ethyl]amino]-2-methylquinazoline-8-carboxamide
CID 77397249
2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 56651606
4-[[(1S)-1-(3-chlorophenyl)-2-(methylamino)ethyl]amino]-2-ethylquinazoline-8-carboxamide
CID 56651607
4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide
CID 77408085
4-[[(1S)-2-(azetidin-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-methylquinazoline-8-carboxylic acid
CID 118467348
4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 123368165
4-[[(1R)-2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
CID 140638523
4-[[(1S)-2-(azetidin-1-yl)-1-(4-chlorophenyl)ethyl]amino]-2-methylquinazoline-8-carboxylic acid
CID 118467361
2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide
CID 158229155
4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 77228144
4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide
CID 66762390
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide (CID 123566147) is 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide is CNCC(Nc1nc(C)nc2c(C(N)=O)cccc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide?
The InChIKey is BGVDBKXEYYGKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-11-26-17-14(18(24)29)4-3-5-15(17)19(27-11)28-16(10-25-2)12-6-8-13(9-7-12)20(21,22)23/h3-9,16,25H,10H2,1-2H3,(H2,24,29)(H,26,27,28).
What are the key properties of 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide?
2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 123566147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).