8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one

C26H22N2O3 — CID 54134107

IUPAC8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)c2N1
InChIInChI=1S/C26H22N2O3/c29-25-14-12-20-7-4-10-24(26(20)28-25)31-16-18-5-3-8-22(15-18)30-17-21-13-11-19-6-1-2-9-23(19)27-21/h1-11,13,15H,12,14,16-17H2,(H,28,29)
InChIKeyNWLHBBOIHSGDEE-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.28
Rot. Bonds6

About 8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one

8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 54134107) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID54134107
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)c2N1
InChIInChI=1S/C26H22N2O3/c29-25-14-12-20-7-4-10-24(26(20)28-25)31-16-18-5-3-8-22(15-18)30-17-21-13-11-19-6-1-2-9-23(19)27-21/h1-11,13,15H,12,14,16-17H2,(H,28,29)
InChIKeyNWLHBBOIHSGDEE-UHFFFAOYSA-N
XLogP5.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 54134107) is 8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)c2N1.
What is the InChIKey of 8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NWLHBBOIHSGDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c29-25-14-12-20-7-4-10-24(26(20)28-25)31-16-18-5-3-8-22(15-18)30-17-21-13-11-19-6-1-2-9-23(19)27-21/h1-11,13,15H,12,14,16-17H2,(H,28,29).
What are the key properties of 8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 410.47 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 54134107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).