5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

C22H30N2O3 — CID 68559129

IUPAC5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESO=c1ccc2c([C@@H](O)CNC3CCCC3C3CCCCC3)ccc(O)c2[nH]1
InChIInChI=1S/C22H30N2O3/c25-19-11-9-16(17-10-12-21(27)24-22(17)19)20(26)13-23-18-8-4-7-15(18)14-5-2-1-3-6-14/h9-12,14-15,18,20,23,25-26H,1-8,13H2,(H,24,27)/t15?,18?,20-/m0/s1
InChIKeyUVXWJIGYIVCRLH-UPQHMETBSA-N
MW370.49 g/mol
LogP3.61
Rot. Bonds5

About 5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 68559129) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
PubChem CID68559129
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
SMILESO=c1ccc2c([C@@H](O)CNC3CCCC3C3CCCCC3)ccc(O)c2[nH]1
InChIInChI=1S/C22H30N2O3/c25-19-11-9-16(17-10-12-21(27)24-22(17)19)20(26)13-23-18-8-4-7-15(18)14-5-2-1-3-6-14/h9-12,14-15,18,20,23,25-26H,1-8,13H2,(H,24,27)/t15?,18?,20-/m0/s1
InChIKeyUVXWJIGYIVCRLH-UPQHMETBSA-N
XLogP3.61
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (CID 68559129) is 5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is O=c1ccc2c([C@@H](O)CNC3CCCC3C3CCCCC3)ccc(O)c2[nH]1.
What is the InChIKey of 5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
The InChIKey is UVXWJIGYIVCRLH-UPQHMETBSA-N. The full InChI is InChI=1S/C22H30N2O3/c25-19-11-9-16(17-10-12-21(27)24-22(17)19)20(26)13-23-18-8-4-7-15(18)14-5-2-1-3-6-14/h9-12,14-15,18,20,23,25-26H,1-8,13H2,(H,24,27)/t15?,18?,20-/m0/s1.
What are the key properties of 5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?
5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 370.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 68559129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).