N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide

C23H17ClN2O — CID 6479602

IUPACN-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide
SMILESCC(=O)Nc1ccc2c(/C=C/c3ccc4cc(Cl)ccc4n3)cccc2c1
InChIInChI=1S/C23H17ClN2O/c1-15(27)25-21-10-11-22-16(3-2-4-17(22)14-21)5-8-20-9-6-18-13-19(24)7-12-23(18)26-20/h2-14H,1H3,(H,25,27)/b8-5+
InChIKeyDXMUQWKOVWSCPA-VMPITWQZSA-N
MW372.86 g/mol
LogP6.17
Rot. Bonds3

About N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide

N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide (PubChem CID 6479602) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide
PubChem CID6479602
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC NameN-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide
SMILESCC(=O)Nc1ccc2c(/C=C/c3ccc4cc(Cl)ccc4n3)cccc2c1
InChIInChI=1S/C23H17ClN2O/c1-15(27)25-21-10-11-22-16(3-2-4-17(22)14-21)5-8-20-9-6-18-13-19(24)7-12-23(18)26-20/h2-14H,1H3,(H,25,27)/b8-5+
InChIKeyDXMUQWKOVWSCPA-VMPITWQZSA-N
XLogP6.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 56.17
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-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide?
The IUPAC name of N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide (CID 6479602) is N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide.
What is the SMILES notation for N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide?
The canonical SMILES for N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide is CC(=O)Nc1ccc2c(/C=C/c3ccc4cc(Cl)ccc4n3)cccc2c1.
What is the InChIKey of N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide?
The InChIKey is DXMUQWKOVWSCPA-VMPITWQZSA-N. The full InChI is InChI=1S/C23H17ClN2O/c1-15(27)25-21-10-11-22-16(3-2-4-17(22)14-21)5-8-20-9-6-18-13-19(24)7-12-23(18)26-20/h2-14H,1H3,(H,25,27)/b8-5+.
What are the key properties of N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide?
N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide has a molecular weight of 372.86 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide is sourced from PubChem (CID 6479602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).