8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one

C20H22N2O4 — CID 167055215

IUPAC8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one
SMILESCOc1cc(C)ccc1CNCC(O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C20H22N2O4/c1-12-3-4-13(18(9-12)26-2)10-21-11-17(24)14-5-7-16(23)20-15(14)6-8-19(25)22-20/h3-9,17,21,23-24H,10-11H2,1-2H3,(H,22,25)
InChIKeyNFQJFMFQUDKSMX-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.37
Rot. Bonds6

About 8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one

8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one (PubChem CID 167055215) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one
PubChem CID167055215
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one
SMILESCOc1cc(C)ccc1CNCC(O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C20H22N2O4/c1-12-3-4-13(18(9-12)26-2)10-21-11-17(24)14-5-7-16(23)20-15(14)6-8-19(25)22-20/h3-9,17,21,23-24H,10-11H2,1-2H3,(H,22,25)
InChIKeyNFQJFMFQUDKSMX-UHFFFAOYSA-N
XLogP2.37
TPSA94.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-2-[(4-amino-5-chloro-2-methoxyphenyl)methylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 172753720
[(S)-[3-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-methoxyphenyl]methoxy]phenyl]-phenylmethyl]carbamic acid
CID 90204029
[(S)-[3-[2-[4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-methoxyanilino]-2-oxoethoxy]phenyl]-phenylmethyl]carbamic acid
CID 90204885
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
8-hydroxy-5-[1-hydroxy-2-[4-(2-methoxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one
CID 164615126
2-hydroxy-2-[3-[[4-[[[4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-methoxybenzoyl]amino]methyl]phenyl]methoxy]phenyl]-2-phenylacetic acid
CID 122461837
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 91244472
(2S)-2-hydroxy-2-[3-[2-[[3-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-methoxybenzoyl]amino]cyclobutyl]amino]-2-oxoethoxy]phenyl]-2-phenylacetic acid
CID 175040340
2-hydroxy-2-[3-[4-[[[4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-methoxybenzoyl]amino]methyl]pyrimidin-2-yl]phenyl]-2-phenylacetic acid
CID 155433059
2-hydroxy-2-[3-[6-[[[4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-methoxybenzoyl]amino]methyl]pyridazin-3-yl]phenyl]-2-phenylacetic acid
CID 155433166
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
2-hydroxy-2-[3-[1-[4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-methoxybenzoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-phenylacetic acid
CID 155433194

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one (CID 167055215) is 8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one is COc1cc(C)ccc1CNCC(O)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one?
The InChIKey is NFQJFMFQUDKSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12-3-4-13(18(9-12)26-2)10-21-11-17(24)14-5-7-16(23)20-15(14)6-8-19(25)22-20/h3-9,17,21,23-24H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[1-hydroxy-2-[(2-methoxy-4-methylphenyl)methylamino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 167055215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).