6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one

C21H23F3N6O2 — CID 142478417

IUPAC6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccc(N)cc12)c1ncc(N2CCOC(C(F)(F)F)C2)cn1
InChIInChI=1S/C21H23F3N6O2/c1-12(28-16-8-19(31)29(2)17-4-3-13(25)7-15(16)17)20-26-9-14(10-27-20)30-5-6-32-18(11-30)21(22,23)24/h3-4,7-10,12,18,28H,5-6,11,25H2,1-2H3
InChIKeyGCMCZESGMGRYMW-UHFFFAOYSA-N
MW448.45 g/mol
LogP2.85
Rot. Bonds4

About 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one

6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one (PubChem CID 142478417) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one.

Molecular Properties

Compound Name6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one
PubChem CID142478417
Molecular FormulaC21H23F3N6O2
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC Name6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccc(N)cc12)c1ncc(N2CCOC(C(F)(F)F)C2)cn1
InChIInChI=1S/C21H23F3N6O2/c1-12(28-16-8-19(31)29(2)17-4-3-13(25)7-15(16)17)20-26-9-14(10-27-20)30-5-6-32-18(11-30)21(22,23)24/h3-4,7-10,12,18,28H,5-6,11,25H2,1-2H3
InChIKeyGCMCZESGMGRYMW-UHFFFAOYSA-N
XLogP2.85
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
Pyrido[2,3-d]pyrimidin-7-one 7
CID 5330335
N-{(3s)-1-[2-(Methylamino)pyrimidin-4-Yl]pyrrolidin-3-Yl}-N'-{4-[(Morpholin-4-Yl)methyl]-3-(Trifluoromethyl)phenyl}urea
CID 117995570
BI-3802
CID 131632978
2-((4-Morpholin-4-ylphenyl)amino)-4-((2,3,6-trifluorobenzyl)amino)pyrimidine-5-carboxamide
CID 10321901
2-(4-Morpholin-4-ylanilino)-4-[(2,4,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 44561163
N-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138541704
Inlexisertib
CID 155269708
Pyrido[2,3-d]pyrimidin-7-one 12
CID 5330339
N-[4-[5-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide
CID 164624240
4-[(2,6-Difluorobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 10071935
4-[(2-Aminobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 23071571

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one?
The IUPAC name of 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one (CID 142478417) is 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one.
What is the SMILES notation for 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one?
The canonical SMILES for 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one is CC(Nc1cc(=O)n(C)c2ccc(N)cc12)c1ncc(N2CCOC(C(F)(F)F)C2)cn1.
What is the InChIKey of 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one?
The InChIKey is GCMCZESGMGRYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O2/c1-12(28-16-8-19(31)29(2)17-4-3-13(25)7-15(16)17)20-26-9-14(10-27-20)30-5-6-32-18(11-30)21(22,23)24/h3-4,7-10,12,18,28H,5-6,11,25H2,1-2H3.
What are the key properties of 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one?
6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one has a molecular weight of 448.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-4-[1-[5-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]ethylamino]quinolin-2-one is sourced from PubChem (CID 142478417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).