(7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile

C22H15ClN2O2 — CID 92867606

IUPAC(7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c(n(-c3ccc(Cl)cc3)c1=O)C[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C22H15ClN2O2/c23-17-6-8-18(9-7-17)25-20-11-15(14-4-2-1-3-5-14)12-21(26)19(20)10-16(13-24)22(25)27/h1-10,15H,11-12H2/t15-/m1/s1
InChIKeyMNGAIEVHTNUZMQ-OAHLLOKOSA-N
MW374.83 g/mol
LogP4.28
Rot. Bonds2

About (7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile

(7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile (PubChem CID 92867606) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is (7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name(7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile
PubChem CID92867606
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name(7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c(n(-c3ccc(Cl)cc3)c1=O)C[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C22H15ClN2O2/c23-17-6-8-18(9-7-17)25-20-11-15(14-4-2-1-3-5-14)12-21(26)19(20)10-16(13-24)22(25)27/h1-10,15H,11-12H2/t15-/m1/s1
InChIKeyMNGAIEVHTNUZMQ-OAHLLOKOSA-N
XLogP4.28
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile?
The IUPAC name of (7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile (CID 92867606) is (7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile.
What is the SMILES notation for (7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile?
The canonical SMILES for (7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile is N#Cc1cc2c(n(-c3ccc(Cl)cc3)c1=O)C[C@@H](c1ccccc1)CC2=O.
What is the InChIKey of (7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile?
The InChIKey is MNGAIEVHTNUZMQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-17-6-8-18(9-7-17)25-20-11-15(14-4-2-1-3-5-14)12-21(26)19(20)10-16(13-24)22(25)27/h1-10,15H,11-12H2/t15-/m1/s1.
What are the key properties of (7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile?
(7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile has a molecular weight of 374.83 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-(4-chlorophenyl)-2,5-dioxo-7-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile is sourced from PubChem (CID 92867606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).