5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride

C21H25ClN2O3 — CID 174997330

IUPAC5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride
SMILESCOc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3ncccc23)cc1.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-14(12-15-5-7-16(26-2)8-6-15)23-13-20(25)17-9-10-19(24)21-18(17)4-3-11-22-21;/h3-11,14,20,23-25H,12-13H2,1-2H3;1H/t14-,20+;/m1./s1
InChIKeyMIJPMAQQMOGSOT-MRVNXENUSA-N
MW388.90 g/mol
LogP3.62
Rot. Bonds7

About 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride

5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride (PubChem CID 174997330) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride.

Molecular Properties

Compound Name5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride
PubChem CID174997330
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride
SMILESCOc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3ncccc23)cc1.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-14(12-15-5-7-16(26-2)8-6-15)23-13-20(25)17-9-10-19(24)21-18(17)4-3-11-22-21;/h3-11,14,20,23-25H,12-13H2,1-2H3;1H/t14-,20+;/m1./s1
InChIKeyMIJPMAQQMOGSOT-MRVNXENUSA-N
XLogP3.62
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride with MolForge

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Related Compounds

5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1-oxidoquinolin-1-ium-8-ol;hydrochloride
CID 69448117
5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one;hydrochloride
CID 69288614
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one;2,3,4,5,6-pentahydroxyhexanoic acid
CID 53357398
bis(5-[1-hydroxy-2-(propan-2-ylamino)butyl]quinolin-8-ol);hydrate;dihydrochloride
CID 175023173
2-[2-formamido-3-hydroxy-6-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]but-2-enedioic acid
CID 57009372
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
2-[1-hydroxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-ylamino]ethyl]phenol
CID 67934224
5-[2-[1-[4-(2,2-difluoro-2-phenylethoxy)phenyl]propan-2-ylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 24771864
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
1-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylidenepent-4-en-2-ol
CID 123192488

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride?
The IUPAC name of 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride (CID 174997330) is 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride.
What is the SMILES notation for 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride?
The canonical SMILES for 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride is COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3ncccc23)cc1.Cl.
What is the InChIKey of 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride?
The InChIKey is MIJPMAQQMOGSOT-MRVNXENUSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c1-14(12-15-5-7-16(26-2)8-6-15)23-13-20(25)17-9-10-19(24)21-18(17)4-3-11-22-21;/h3-11,14,20,23-25H,12-13H2,1-2H3;1H/t14-,20+;/m1./s1.
What are the key properties of 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride?
5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]quinolin-8-ol;hydrochloride is sourced from PubChem (CID 174997330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).