8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one

C21H22N2O3 — CID 90853876

IUPAC8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c([C@@H](O)CNC3CCCc4ccccc43)ccc(O)c2[nH]1
InChIInChI=1S/C21H22N2O3/c24-18-10-8-15(16-9-11-20(26)23-21(16)18)19(25)12-22-17-7-3-5-13-4-1-2-6-14(13)17/h1-2,4,6,8-11,17,19,22,24-25H,3,5,7,12H2,(H,23,26)/t17?,19-/m0/s1
InChIKeyRSQWQVFVRTYYEY-NNBQYGFHSA-N
MW350.42 g/mol
LogP2.93
Rot. Bonds4

About 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one

8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one (PubChem CID 90853876) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one
PubChem CID90853876
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c([C@@H](O)CNC3CCCc4ccccc43)ccc(O)c2[nH]1
InChIInChI=1S/C21H22N2O3/c24-18-10-8-15(16-9-11-20(26)23-21(16)18)19(25)12-22-17-7-3-5-13-4-1-2-6-14(13)17/h1-2,4,6,8-11,17,19,22,24-25H,3,5,7,12H2,(H,23,26)/t17?,19-/m0/s1
InChIKeyRSQWQVFVRTYYEY-NNBQYGFHSA-N
XLogP2.93
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one with MolForge

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Related Compounds

5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 91493260
8-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]ethyl]-1H-quinolin-2-one
CID 11266679
cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid
CID 66860626
5-[2-[(4,7-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 16738802
5-[(1R)-2-[[5-ethyl-6-(2,2,2-trideuterioethyl)-2,3-dihydro-1H-inden-2-yl]amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 163322006
8-hydroxy-5-[(1R)-1-hydroxy-2-(2-phenylethylamino)ethyl]-1H-quinolin-2-one
CID 140957131
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propane-1-sulfonic acid
CID 58931844
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
8-hydroxy-5-[(1R)-1-hydroxy-2-(9-piperidin-1-ylnonylamino)ethyl]-1H-quinolin-2-one
CID 151406566
N-[(2-chlorophenyl)methyl]-3-[4-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]propanamide
CID 68926633
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one (CID 90853876) is 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one is O=c1ccc2c([C@@H](O)CNC3CCCc4ccccc43)ccc(O)c2[nH]1.
What is the InChIKey of 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one?
The InChIKey is RSQWQVFVRTYYEY-NNBQYGFHSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-18-10-8-15(16-9-11-20(26)23-21(16)18)19(25)12-22-17-7-3-5-13-4-1-2-6-14(13)17/h1-2,4,6,8-11,17,19,22,24-25H,3,5,7,12H2,(H,23,26)/t17?,19-/m0/s1.
What are the key properties of 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 90853876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).