N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine

C24H27F3N4O3 — CID 26012673

IUPACN-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCOc1ccc([C@H](CNc2nc(C(F)(F)F)nc3ccccc23)N2CCOCC2)cc1OC
InChIInChI=1S/C24H27F3N4O3/c1-3-34-20-9-8-16(14-21(20)32-2)19(31-10-12-33-13-11-31)15-28-22-17-6-4-5-7-18(17)29-23(30-22)24(25,26)27/h4-9,14,19H,3,10-13,15H2,1-2H3,(H,28,29,30)/t19-/m0/s1
InChIKeyAYDRAYRCTBQTDH-IBGZPJMESA-N
MW476.50 g/mol
LogP4.54
Rot. Bonds8

About N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine

N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 26012673) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID26012673
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC NameN-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCOc1ccc([C@H](CNc2nc(C(F)(F)F)nc3ccccc23)N2CCOCC2)cc1OC
InChIInChI=1S/C24H27F3N4O3/c1-3-34-20-9-8-16(14-21(20)32-2)19(31-10-12-33-13-11-31)15-28-22-17-6-4-5-7-18(17)29-23(30-22)24(25,26)27/h4-9,14,19H,3,10-13,15H2,1-2H3,(H,28,29,30)/t19-/m0/s1
InChIKeyAYDRAYRCTBQTDH-IBGZPJMESA-N
XLogP4.54
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine with MolForge

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Related Compounds

N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine
CID 18168079
2-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]benzonitrile
CID 42958425
N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24647913
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 97083925
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-4-ethylbenzamide
CID 8893146
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 17482448
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248
2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
CID 56553723
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine
CID 121378075

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine (CID 26012673) is N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine is CCOc1ccc([C@H](CNc2nc(C(F)(F)F)nc3ccccc23)N2CCOCC2)cc1OC.
What is the InChIKey of N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is AYDRAYRCTBQTDH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-3-34-20-9-8-16(14-21(20)32-2)19(31-10-12-33-13-11-31)15-28-22-17-6-4-5-7-18(17)29-23(30-22)24(25,26)27/h4-9,14,19H,3,10-13,15H2,1-2H3,(H,28,29,30)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine?
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 476.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 26012673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).