6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile

C27H15ClN2O2 — CID 10670511

IUPAC6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile
SMILESN#Cc1cc(Cl)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12
InChIInChI=1S/C27H15ClN2O2/c28-21-13-20(16-29)27-23(14-21)25(31)15-26(32-27)19-6-3-4-17(12-19)8-10-22-11-9-18-5-1-2-7-24(18)30-22/h1-15H/b10-8+
InChIKeyWIRZMZCPROAFBK-CSKARUKUSA-N
MW434.88 g/mol
LogP6.70
Rot. Bonds3

About 6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile

6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile (PubChem CID 10670511) has the molecular formula C27H15ClN2O2 and a molecular weight of 434.88 g/mol. Its IUPAC name is 6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile
PubChem CID10670511
Molecular FormulaC27H15ClN2O2
Molecular Weight434.88 g/mol
Exact Mass434.08
IUPAC Name6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile
SMILESN#Cc1cc(Cl)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12
InChIInChI=1S/C27H15ClN2O2/c28-21-13-20(16-29)27-23(14-21)25(31)15-26(32-27)19-6-3-4-17(12-19)8-10-22-11-9-18-5-1-2-7-24(18)30-22/h1-15H/b10-8+
InChIKeyWIRZMZCPROAFBK-CSKARUKUSA-N
XLogP6.70
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.88
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile?
The IUPAC name of 6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile (CID 10670511) is 6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile.
What is the SMILES notation for 6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile?
The canonical SMILES for 6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile is N#Cc1cc(Cl)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12.
What is the InChIKey of 6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile?
The InChIKey is WIRZMZCPROAFBK-CSKARUKUSA-N. The full InChI is InChI=1S/C27H15ClN2O2/c28-21-13-20(16-29)27-23(14-21)25(31)15-26(32-27)19-6-3-4-17(12-19)8-10-22-11-9-18-5-1-2-7-24(18)30-22/h1-15H/b10-8+.
What are the key properties of 6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile?
6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile has a molecular weight of 434.88 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carbonitrile is sourced from PubChem (CID 10670511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).