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Olutasidenib

C18H15ClN4O2 — CID 118955396

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
SMILESC[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyNEQYWYXGTJDAKR-JTQLQIEISA-N
MW354.80 g/mol
LogP2.92
Rot. Bonds3

About Olutasidenib

Olutasidenib (PubChem CID 118955396) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile.

Molecular Properties

Compound NameOlutasidenib
PubChem CID118955396
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
SMILESC[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyNEQYWYXGTJDAKR-JTQLQIEISA-N
XLogP2.92
TPSA90.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
4-acetyl-7-chloro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 5113339
(E)-6-chloro-4-(1-cinnamylpiperidin-4-ylamino)-1-methylquinolin-2(1H)-one
CID 20817846
6-chloro-3-((1-ethyl-2-oxo-1,2-dihydropyridin-3-ylamino)methyl)quinolin-2(1H)-one
CID 118955389
5-(((6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955397
(S)-5-((1-(6-Chloro-7-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955405
6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 118955416
6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 118955430
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)pyridin-3-yl]amino]methyl]-1H-quinolin-2-one
CID 118955448
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458
4-(((6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl)amino)benzonitrile
CID 118955679

Frequently Asked Questions

What is the IUPAC name of Olutasidenib?
The IUPAC name of Olutasidenib (CID 118955396) is 5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile.
What is the SMILES notation for Olutasidenib?
The canonical SMILES for Olutasidenib is C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of Olutasidenib?
The InChIKey is NEQYWYXGTJDAKR-JTQLQIEISA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1.
What are the key properties of Olutasidenib?
Olutasidenib has a molecular weight of 354.80 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Olutasidenib is sourced from PubChem (CID 118955396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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