(3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one

C22H22N2O2 — CID 69303892

IUPAC(3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one
SMILESCC(C)[C@H]1C(=O)N(O)c2ccccc2N1Cc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c1-15(2)21-22(25)24(26)20-10-6-5-9-19(20)23(21)14-16-11-12-17-7-3-4-8-18(17)13-16/h3-13,15,21,26H,14H2,1-2H3/t21-/m0/s1
InChIKeyIVTKQFVBRZRSMI-NRFANRHFSA-N
MW346.43 g/mol
LogP4.61
Rot. Bonds3

About (3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one

(3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 69303892) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one
PubChem CID69303892
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one
SMILESCC(C)[C@H]1C(=O)N(O)c2ccccc2N1Cc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c1-15(2)21-22(25)24(26)20-10-6-5-9-19(20)23(21)14-16-11-12-17-7-3-4-8-18(17)13-16/h3-13,15,21,26H,14H2,1-2H3/t21-/m0/s1
InChIKeyIVTKQFVBRZRSMI-NRFANRHFSA-N
XLogP4.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one
CID 763775
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 16369952
(2S)-2-(methylamino)-N-[(3S)-1-(3-methylbutanoyl)-5-[(2-methylnaphthalen-1-yl)methyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]propanamide
CID 72713610
(S)-N-(1-(2-amino-3-(naphthalen-2-yl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
CID 44425373
(S)-2-methylamino-N—{(S)-1(2-methyl-naphthalen-1-ylmethyl)-5-[2-(4-methyl-piperazin-1-yl)-acetyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl}-propionamide hydrochloride
CID 118076813
4-(2-(naphthalen-1-yl)acetyl)-3,4-dihydroquinoxalin-2(1H)-one
CID 20898936
2-[Benzyl(naphthalen-2-ylmethyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 44473665
3-Methyl-4-(naphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 134138916
[1-(Naphthalen-2-ylmethyl)piperidin-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 46846326
N-(4-fluorophenyl)-2-(4-naphthalen-2-ylpiperidin-1-yl)acetamide
CID 67587061
4-(2-(2,4-dimethylphenyl)acetyl)-3,4-dihydroquinoxalin-2(1H)-one
CID 16863995
(3R)-3-naphthalen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 101515587

Frequently Asked Questions

What is the IUPAC name of (3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one?
The IUPAC name of (3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one (CID 69303892) is (3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one.
What is the SMILES notation for (3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one?
The canonical SMILES for (3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one is CC(C)[C@H]1C(=O)N(O)c2ccccc2N1Cc1ccc2ccccc2c1.
What is the InChIKey of (3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one?
The InChIKey is IVTKQFVBRZRSMI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15(2)21-22(25)24(26)20-10-6-5-9-19(20)23(21)14-16-11-12-17-7-3-4-8-18(17)13-16/h3-13,15,21,26H,14H2,1-2H3/t21-/m0/s1.
What are the key properties of (3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one?
(3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 346.43 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 69303892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).