2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile

C18H12ClN3O — CID 21445452

IUPAC2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile
SMILESCn1c(=O)c2c(c3ccccc31)c1cc(Cl)ccc1n2CC#N
InChIInChI=1S/C18H12ClN3O/c1-21-14-5-3-2-4-12(14)16-13-10-11(19)6-7-15(13)22(9-8-20)17(16)18(21)23/h2-7,10H,9H2,1H3
InChIKeyLKBIAWLIPWXOTE-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.82
Rot. Bonds1

About 2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile

2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile (PubChem CID 21445452) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile
PubChem CID21445452
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile
SMILESCn1c(=O)c2c(c3ccccc31)c1cc(Cl)ccc1n2CC#N
InChIInChI=1S/C18H12ClN3O/c1-21-14-5-3-2-4-12(14)16-13-10-11(19)6-7-15(13)22(9-8-20)17(16)18(21)23/h2-7,10H,9H2,1H3
InChIKeyLKBIAWLIPWXOTE-UHFFFAOYSA-N
XLogP3.82
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile?
The IUPAC name of 2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile (CID 21445452) is 2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile.
What is the SMILES notation for 2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile?
The canonical SMILES for 2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile is Cn1c(=O)c2c(c3ccccc31)c1cc(Cl)ccc1n2CC#N.
What is the InChIKey of 2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile?
The InChIKey is LKBIAWLIPWXOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c1-21-14-5-3-2-4-12(14)16-13-10-11(19)6-7-15(13)22(9-8-20)17(16)18(21)23/h2-7,10H,9H2,1H3.
What are the key properties of 2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile?
2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile has a molecular weight of 321.77 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-chloro-5-methyl-6-oxoindolo[2,3-c]quinolin-7-yl)acetonitrile is sourced from PubChem (CID 21445452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).