5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one

C43H53N5O5 — CID 135170923

IUPAC5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cc(OC3CCNCC3)cc2C2CCc3cc(C4CC(=O)c5ccc(OC6CCNCC6)cc5C4)c(OC4CCNCC4)cc3N2)N1
InChIInChI=1S/C43H53N5O5/c49-41-22-28(19-27-20-32(2-3-34(27)41)51-29-7-13-44-14-8-29)36-21-26-1-5-38(47-39(26)25-42(36)53-31-11-17-46-18-12-31)37-23-33(52-30-9-15-45-16-10-30)24-40-35(37)4-6-43(50)48-40/h2-3,20-21,23-25,28-31,38,44-47H,1,4-19,22H2,(H,48,50)
InChIKeyOIIBNLNJXXGLCQ-UHFFFAOYSA-N
MW719.93 g/mol
LogP5.98
Rot. Bonds8

About 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one

5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 135170923) has the molecular formula C43H53N5O5 and a molecular weight of 719.93 g/mol. Its IUPAC name is 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID135170923
Molecular FormulaC43H53N5O5
Molecular Weight719.93 g/mol
Exact Mass719.40
IUPAC Name5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cc(OC3CCNCC3)cc2C2CCc3cc(C4CC(=O)c5ccc(OC6CCNCC6)cc5C4)c(OC4CCNCC4)cc3N2)N1
InChIInChI=1S/C43H53N5O5/c49-41-22-28(19-27-20-32(2-3-34(27)41)51-29-7-13-44-14-8-29)36-21-26-1-5-38(47-39(26)25-42(36)53-31-11-17-46-18-12-31)37-23-33(52-30-9-15-45-16-10-30)24-40-35(37)4-6-43(50)48-40/h2-3,20-21,23-25,28-31,38,44-47H,1,4-19,22H2,(H,48,50)
InChIKeyOIIBNLNJXXGLCQ-UHFFFAOYSA-N
XLogP5.98
TPSA121.98 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.93
LogP ≤ 55.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one (CID 135170923) is 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cc(OC3CCNCC3)cc2C2CCc3cc(C4CC(=O)c5ccc(OC6CCNCC6)cc5C4)c(OC4CCNCC4)cc3N2)N1.
What is the InChIKey of 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OIIBNLNJXXGLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53N5O5/c49-41-22-28(19-27-20-32(2-3-34(27)41)51-29-7-13-44-14-8-29)36-21-26-1-5-38(47-39(26)25-42(36)53-31-11-17-46-18-12-31)37-23-33(52-30-9-15-45-16-10-30)24-40-35(37)4-6-43(50)48-40/h2-3,20-21,23-25,28-31,38,44-47H,1,4-19,22H2,(H,48,50).
What are the key properties of 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one?
5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 719.93 g/mol, XLogP of 5.98, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 135170923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).