N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide

C28H19ClN2O — CID 6479607

IUPACN-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide
SMILESO=C(Nc1ccc2c(/C=C/c3ccc4ccc(Cl)cc4n3)cccc2c1)c1ccccc1
InChIInChI=1S/C28H19ClN2O/c29-23-12-9-20-11-14-24(30-27(20)18-23)13-10-19-7-4-8-22-17-25(15-16-26(19)22)31-28(32)21-5-2-1-3-6-21/h1-18H,(H,31,32)/b13-10+
InChIKeyAGHFPZUBXGYDHC-JLHYYAGUSA-N
MW434.93 g/mol
LogP7.46
Rot. Bonds4

About N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide

N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide (PubChem CID 6479607) has the molecular formula C28H19ClN2O and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide
PubChem CID6479607
Molecular FormulaC28H19ClN2O
Molecular Weight434.93 g/mol
Exact Mass434.12
IUPAC NameN-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide
SMILESO=C(Nc1ccc2c(/C=C/c3ccc4ccc(Cl)cc4n3)cccc2c1)c1ccccc1
InChIInChI=1S/C28H19ClN2O/c29-23-12-9-20-11-14-24(30-27(20)18-23)13-10-19-7-4-8-22-17-25(15-16-26(19)22)31-28(32)21-5-2-1-3-6-21/h1-18H,(H,31,32)/b13-10+
InChIKeyAGHFPZUBXGYDHC-JLHYYAGUSA-N
XLogP7.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide?
The IUPAC name of N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide (CID 6479607) is N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide.
What is the SMILES notation for N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide?
The canonical SMILES for N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide is O=C(Nc1ccc2c(/C=C/c3ccc4ccc(Cl)cc4n3)cccc2c1)c1ccccc1.
What is the InChIKey of N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide?
The InChIKey is AGHFPZUBXGYDHC-JLHYYAGUSA-N. The full InChI is InChI=1S/C28H19ClN2O/c29-23-12-9-20-11-14-24(30-27(20)18-23)13-10-19-7-4-8-22-17-25(15-16-26(19)22)31-28(32)21-5-2-1-3-6-21/h1-18H,(H,31,32)/b13-10+.
What are the key properties of N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide?
N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide has a molecular weight of 434.93 g/mol, XLogP of 7.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide is sourced from PubChem (CID 6479607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).