6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one

C26H29ClN8O2 — CID 135386592

IUPAC6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccc(Nc3nc(N4C[C@@H](C)O[C@@H](C)C4)ncc3Cl)cc12)c1ncccn1
InChIInChI=1S/C26H29ClN8O2/c1-15-13-35(14-16(2)37-15)26-30-12-20(27)25(33-26)32-18-6-7-22-19(10-18)21(11-23(36)34(22)4)31-17(3)24-28-8-5-9-29-24/h5-12,15-17,31H,13-14H2,1-4H3,(H,30,32,33)/t15-,16+,17?
InChIKeyHIZGKXPPQANWRR-SJPCQFCGSA-N
MW521.03 g/mol
LogP4.30
Rot. Bonds6

About 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one

6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one (PubChem CID 135386592) has the molecular formula C26H29ClN8O2 and a molecular weight of 521.03 g/mol. Its IUPAC name is 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one.

Molecular Properties

Compound Name6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
PubChem CID135386592
Molecular FormulaC26H29ClN8O2
Molecular Weight521.03 g/mol
Exact Mass520.21
IUPAC Name6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccc(Nc3nc(N4C[C@@H](C)O[C@@H](C)C4)ncc3Cl)cc12)c1ncccn1
InChIInChI=1S/C26H29ClN8O2/c1-15-13-35(14-16(2)37-15)26-30-12-20(27)25(33-26)32-18-6-7-22-19(10-18)21(11-23(36)34(22)4)31-17(3)24-28-8-5-9-29-24/h5-12,15-17,31H,13-14H2,1-4H3,(H,30,32,33)/t15-,16+,17?
InChIKeyHIZGKXPPQANWRR-SJPCQFCGSA-N
XLogP4.30
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.03
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[5-chloro-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-4-yl]amino]-1-methyl-4-[[(1S)-1-pyrimidin-2-ylethyl]amino]quinolin-2-one
CID 156571026
9-[5-chloro-4-[[1-methyl-2-oxo-4-(1-pyrimidin-2-ylethylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
CID 135385349
10-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-7-methyl-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-6-one
CID 167211104
8-[[5-chloro-2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
CID 174161120
4-[1-(5-cyclobutylpyrimidin-2-yl)ethylamino]-6-(hydroxyamino)-1-methylquinolin-2-one
CID 142478221
6-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one
CID 142478321
1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 142478362
6-[[5-chloro-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-3-(2-methylpropoxy)quinolin-2-one
CID 135137793
6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinazolin-2-one
CID 162472418
6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one
CID 167612831
(2R)-2-[6-[[5-chloro-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxypropanoic acid
CID 146434069
6-[[5-chloro-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-(cyclobutylmethyl)-1-methylquinoxaline-2,3-dione
CID 170736713

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
The IUPAC name of 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one (CID 135386592) is 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one.
What is the SMILES notation for 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
The canonical SMILES for 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one is CC(Nc1cc(=O)n(C)c2ccc(Nc3nc(N4C[C@@H](C)O[C@@H](C)C4)ncc3Cl)cc12)c1ncccn1.
What is the InChIKey of 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
The InChIKey is HIZGKXPPQANWRR-SJPCQFCGSA-N. The full InChI is InChI=1S/C26H29ClN8O2/c1-15-13-35(14-16(2)37-15)26-30-12-20(27)25(33-26)32-18-6-7-22-19(10-18)21(11-23(36)34(22)4)31-17(3)24-28-8-5-9-29-24/h5-12,15-17,31H,13-14H2,1-4H3,(H,30,32,33)/t15-,16+,17?.
What are the key properties of 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one has a molecular weight of 521.03 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one is sourced from PubChem (CID 135386592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).