3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile

C21H16N2O — CID 1488990

IUPAC3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
SMILESCc1ccc(COc2ccc3c(C#N)c4ccccn4c3c2)cc1
InChIInChI=1S/C21H16N2O/c1-15-5-7-16(8-6-15)14-24-17-9-10-18-19(13-22)20-4-2-3-11-23(20)21(18)12-17/h2-12H,14H2,1H3
InChIKeyWGKDGYPEAYWQHO-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.85
Rot. Bonds3

About 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile

3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile (PubChem CID 1488990) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile.

Molecular Properties

Compound Name3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
PubChem CID1488990
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
SMILESCc1ccc(COc2ccc3c(C#N)c4ccccn4c3c2)cc1
InChIInChI=1S/C21H16N2O/c1-15-5-7-16(8-6-15)14-24-17-9-10-18-19(13-22)20-4-2-3-11-23(20)21(18)12-17/h2-12H,14H2,1H3
InChIKeyWGKDGYPEAYWQHO-UHFFFAOYSA-N
XLogP4.85
TPSA37.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile?
The IUPAC name of 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile (CID 1488990) is 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile.
What is the SMILES notation for 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile?
The canonical SMILES for 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile is Cc1ccc(COc2ccc3c(C#N)c4ccccn4c3c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile?
The InChIKey is WGKDGYPEAYWQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-15-5-7-16(8-6-15)14-24-17-9-10-18-19(13-22)20-4-2-3-11-23(20)21(18)12-17/h2-12H,14H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile?
3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile is sourced from PubChem (CID 1488990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).