5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one

C20H28N2O3 — CID 15590476

IUPAC5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one
SMILESCCC(C(O)c1ccc(O)c2[nH]c(=O)ccc12)N(C)C1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-3-16(22(2)13-7-5-4-6-8-13)20(25)15-9-11-17(23)19-14(15)10-12-18(24)21-19/h9-13,16,20,23,25H,3-8H2,1-2H3,(H,21,24)
InChIKeyWEHIGCCPVUTNJE-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.31
Rot. Bonds5

About 5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one

5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 15590476) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one
PubChem CID15590476
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one
SMILESCCC(C(O)c1ccc(O)c2[nH]c(=O)ccc12)N(C)C1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-3-16(22(2)13-7-5-4-6-8-13)20(25)15-9-11-17(23)19-14(15)10-12-18(24)21-19/h9-13,16,20,23,25H,3-8H2,1-2H3,(H,21,24)
InChIKeyWEHIGCCPVUTNJE-UHFFFAOYSA-N
XLogP3.31
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
CID 688561
bis(8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one);hydrate;dihydrochloride
CID 66958037
[(1R,2S)-1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)butan-2-yl]-propan-2-ylazanium
CID 6921794
8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid
CID 70362996
5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
CID 70411670
5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 68559129
8-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]ethyl]-1H-quinolin-2-one
CID 11266679
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
5-[2-[(4,7-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 16738802
[5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] 3-cyclohexyl-2-methylpropanoate
CID 23342067
5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one
CID 90805801

Frequently Asked Questions

What is the IUPAC name of 5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one (CID 15590476) is 5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one is CCC(C(O)c1ccc(O)c2[nH]c(=O)ccc12)N(C)C1CCCCC1.
What is the InChIKey of 5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one?
The InChIKey is WEHIGCCPVUTNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-16(22(2)13-7-5-4-6-8-13)20(25)15-9-11-17(23)19-14(15)10-12-18(24)21-19/h9-13,16,20,23,25H,3-8H2,1-2H3,(H,21,24).
What are the key properties of 5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one?
5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 344.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 15590476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).