6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one

C19H26N2O4 — CID 100604538

IUPAC6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H]1CN(C(=O)CC[C@@H](O)c2ccc3c(c2)CCC(=O)N3)C[C@@H](C)O1
InChIInChI=1S/C19H26N2O4/c1-12-10-21(11-13(2)25-12)19(24)8-6-17(22)15-3-5-16-14(9-15)4-7-18(23)20-16/h3,5,9,12-13,17,22H,4,6-8,10-11H2,1-2H3,(H,20,23)/t12-,13-,17-/m1/s1
InChIKeyPBCUNTIBKXAWTA-PBFPGSCMSA-N
MW346.43 g/mol
LogP2.02
Rot. Bonds4

About 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one

6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 100604538) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID100604538
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H]1CN(C(=O)CC[C@@H](O)c2ccc3c(c2)CCC(=O)N3)C[C@@H](C)O1
InChIInChI=1S/C19H26N2O4/c1-12-10-21(11-13(2)25-12)19(24)8-6-17(22)15-3-5-16-14(9-15)4-7-18(23)20-16/h3,5,9,12-13,17,22H,4,6-8,10-11H2,1-2H3,(H,20,23)/t12-,13-,17-/m1/s1
InChIKeyPBCUNTIBKXAWTA-PBFPGSCMSA-N
XLogP2.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(1R)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
CID 100604548
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087528
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18130814
6-(2,6-dimethylmorpholin-4-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 71940676
S-[3,4-dihydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butyl] ethanethioate
CID 171876672
6-[4-[4-(4-methylpentanoyl)piperazin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55922389
methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate
CID 60860810
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 22800817
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one (CID 100604538) is 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one is C[C@@H]1CN(C(=O)CC[C@@H](O)c2ccc3c(c2)CCC(=O)N3)C[C@@H](C)O1.
What is the InChIKey of 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PBCUNTIBKXAWTA-PBFPGSCMSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12-10-21(11-13(2)25-12)19(24)8-6-17(22)15-3-5-16-14(9-15)4-7-18(23)20-16/h3,5,9,12-13,17,22H,4,6-8,10-11H2,1-2H3,(H,20,23)/t12-,13-,17-/m1/s1.
What are the key properties of 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 346.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 100604538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).