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

C23H22N2O3 — CID 19854742

IUPAC6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C(O)(Cc2cccnc2)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C23H22N2O3/c1-28-20-8-5-18(6-9-20)23(27,14-16-3-2-12-24-15-16)19-7-10-21-17(13-19)4-11-22(26)25-21/h2-3,5-10,12-13,15,27H,4,11,14H2,1H3,(H,25,26)
InChIKeyRPZFFPYUEKQVBW-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.45
Rot. Bonds5

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

6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 19854742) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID19854742
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C(O)(Cc2cccnc2)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C23H22N2O3/c1-28-20-8-5-18(6-9-20)23(27,14-16-3-2-12-24-15-16)19-7-10-21-17(13-19)4-11-22(26)25-21/h2-3,5-10,12-13,15,27H,4,11,14H2,1H3,(H,25,26)
InChIKeyRPZFFPYUEKQVBW-UHFFFAOYSA-N
XLogP3.45
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854739
1,1-bis(4-fluorophenyl)-2-pyridin-3-ylethanol
CID 23036417
6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854649
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
6-(2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854708
anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88692964
1,1,2-tripyridin-3-ylethanol
CID 57425683
6-[bromo-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098117
2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 97333628
6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116841256
2-(3-methoxyphenyl)-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 110788667
6-[(Z)-3-phenyl-1-pyridin-3-ylprop-1-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 19854582

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one (CID 19854742) is 6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one is COc1ccc(C(O)(Cc2cccnc2)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of 6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RPZFFPYUEKQVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-28-20-8-5-18(6-9-20)23(27,14-16-3-2-12-24-15-16)19-7-10-21-17(13-19)4-11-22(26)25-21/h2-3,5-10,12-13,15,27H,4,11,14H2,1H3,(H,25,26).
What are the key properties of 6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-1-(4-methoxyphenyl)-2-pyridin-3-ylethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 19854742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).