6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

C17H17NO3 — CID 19854729

IUPAC6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C(O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C17H17NO3/c1-21-14-6-2-11(3-7-14)17(20)13-4-8-15-12(10-13)5-9-16(19)18-15/h2-4,6-8,10,17,20H,5,9H2,1H3,(H,18,19)
InChIKeyZJOIIGVRQBCRPO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.66
Rot. Bonds3

About 6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 19854729) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID19854729
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C(O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C17H17NO3/c1-21-14-6-2-11(3-7-14)17(20)13-4-8-15-12(10-13)5-9-16(19)18-15/h2-4,6-8,10,17,20H,5,9H2,1H3,(H,18,19)
InChIKeyZJOIIGVRQBCRPO-UHFFFAOYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[bromo-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098117
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78938613
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086798
6-[hydroxy-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082397
5-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 62920423
6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 106862670
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087528

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 19854729) is 6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is COc1ccc(C(O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of 6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZJOIIGVRQBCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-14-6-2-11(3-7-14)17(20)13-4-8-15-12(10-13)5-9-16(19)18-15/h2-4,6-8,10,17,20H,5,9H2,1H3,(H,18,19).
What are the key properties of 6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 19854729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).