1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile

C18H13N3O2 — CID 77105815

IUPAC1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
SMILESCOc1ccc2[nH]c3c4c(OC)cncc4cc(C#N)c3c2c1
InChIInChI=1S/C18H13N3O2/c1-22-12-3-4-14-13(6-12)16-10(7-19)5-11-8-20-9-15(23-2)17(11)18(16)21-14/h3-6,8-9,21H,1-2H3
InChIKeyVTDMTVMKVZXVSP-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.76
Rot. Bonds2

About 1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile

1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile (PubChem CID 77105815) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile.

Molecular Properties

Compound Name1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
PubChem CID77105815
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
SMILESCOc1ccc2[nH]c3c4c(OC)cncc4cc(C#N)c3c2c1
InChIInChI=1S/C18H13N3O2/c1-22-12-3-4-14-13(6-12)16-10(7-19)5-11-8-20-9-15(23-2)17(11)18(16)21-14/h3-6,8-9,21H,1-2H3
InChIKeyVTDMTVMKVZXVSP-UHFFFAOYSA-N
XLogP3.76
TPSA70.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile?
The IUPAC name of 1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile (CID 77105815) is 1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile.
What is the SMILES notation for 1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile?
The canonical SMILES for 1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile is COc1ccc2[nH]c3c4c(OC)cncc4cc(C#N)c3c2c1.
What is the InChIKey of 1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile?
The InChIKey is VTDMTVMKVZXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-22-12-3-4-14-13(6-12)16-10(7-19)5-11-8-20-9-15(23-2)17(11)18(16)21-14/h3-6,8-9,21H,1-2H3.
What are the key properties of 1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile?
1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile has a molecular weight of 303.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile is sourced from PubChem (CID 77105815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).