4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile

C25H17N3 — CID 155549006

IUPAC4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile
SMILESC=C(c1ccc2c(c1)c1ccccc1n2C)c1cc(C#N)nc2ccccc12
InChIInChI=1S/C25H17N3/c1-16(21-14-18(15-26)27-23-9-5-3-7-19(21)23)17-11-12-25-22(13-17)20-8-4-6-10-24(20)28(25)2/h3-14H,1H2,2H3
InChIKeyOAGXJWJEJPZUKH-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.81
Rot. Bonds2

About 4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile

4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile (PubChem CID 155549006) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile
PubChem CID155549006
Molecular FormulaC25H17N3
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile
SMILESC=C(c1ccc2c(c1)c1ccccc1n2C)c1cc(C#N)nc2ccccc12
InChIInChI=1S/C25H17N3/c1-16(21-14-18(15-26)27-23-9-5-3-7-19(21)23)17-11-12-25-22(13-17)20-8-4-6-10-24(20)28(25)2/h3-14H,1H2,2H3
InChIKeyOAGXJWJEJPZUKH-UHFFFAOYSA-N
XLogP5.81
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile?
The IUPAC name of 4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile (CID 155549006) is 4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile?
The canonical SMILES for 4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile is C=C(c1ccc2c(c1)c1ccccc1n2C)c1cc(C#N)nc2ccccc12.
What is the InChIKey of 4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile?
The InChIKey is OAGXJWJEJPZUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3/c1-16(21-14-18(15-26)27-23-9-5-3-7-19(21)23)17-11-12-25-22(13-17)20-8-4-6-10-24(20)28(25)2/h3-14H,1H2,2H3.
What are the key properties of 4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile?
4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile has a molecular weight of 359.43 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(9-methylcarbazol-3-yl)ethenyl]quinoline-2-carbonitrile is sourced from PubChem (CID 155549006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).