(3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one

C23H25N2O4+ — CID 7288202

IUPAC(3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
SMILESO=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21
InChIInChI=1S/C23H24N2O4/c26-21-17-6-2-1-5-16(17)9-10-19(21)23(28)18-7-3-4-8-20(18)25(22(23)27)15-24-11-13-29-14-12-24/h1-8,19,28H,9-15H2/p+1/t19-,23-/m1/s1
InChIKeyOBTQPEQDGYYCKP-AUSIDOKSSA-O
MW393.46 g/mol
LogP0.54
Rot. Bonds3

About (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one

(3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one (PubChem CID 7288202) has the molecular formula C23H25N2O4+ and a molecular weight of 393.46 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
PubChem CID7288202
Molecular FormulaC23H25N2O4+
Molecular Weight393.46 g/mol
Exact Mass393.18
IUPAC Name(3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
SMILESO=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21
InChIInChI=1S/C23H24N2O4/c26-21-17-6-2-1-5-16(17)9-10-19(21)23(28)18-7-3-4-8-20(18)25(22(23)27)15-24-11-13-29-14-12-24/h1-8,19,28H,9-15H2/p+1/t19-,23-/m1/s1
InChIKeyOBTQPEQDGYYCKP-AUSIDOKSSA-O
XLogP0.54
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 723557
3-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 17131208
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 26413998
1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 17077719
1-benzyl-5-chloro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 66522994
(3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 95731462
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1-(thiophen-2-ylmethyl)indol-2-one
CID 41281297
3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one
CID 5053139
(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 7394145
2-(morpholin-4-ium-4-ylmethyl)isoindole-1,3-dione
CID 3462694
(3S)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 7288175
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 5212720

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The IUPAC name of (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one (CID 7288202) is (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one is O=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21.
What is the InChIKey of (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The InChIKey is OBTQPEQDGYYCKP-AUSIDOKSSA-O. The full InChI is InChI=1S/C23H24N2O4/c26-21-17-6-2-1-5-16(17)9-10-19(21)23(28)18-7-3-4-8-20(18)25(22(23)27)15-24-11-13-29-14-12-24/h1-8,19,28H,9-15H2/p+1/t19-,23-/m1/s1.
What are the key properties of (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
(3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one has a molecular weight of 393.46 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one is sourced from PubChem (CID 7288202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).