(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone

C20H15ClN2O — CID 52915289

IUPAC(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
SMILESCCn1c2ccncc2c2cc(C(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C20H15ClN2O/c1-2-23-18-8-7-13(20(24)14-5-3-4-6-17(14)21)11-15(18)16-12-22-10-9-19(16)23/h3-12H,2H2,1H3
InChIKeySNSDIXWPQWSIIJ-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.09
Rot. Bonds3

About (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone

(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone (PubChem CID 52915289) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
PubChem CID52915289
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
SMILESCCn1c2ccncc2c2cc(C(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C20H15ClN2O/c1-2-23-18-8-7-13(20(24)14-5-3-4-6-17(14)21)11-15(18)16-12-22-10-9-19(16)23/h3-12H,2H2,1H3
InChIKeySNSDIXWPQWSIIJ-UHFFFAOYSA-N
XLogP5.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone (CID 52915289) is (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone is CCn1c2ccncc2c2cc(C(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
The InChIKey is SNSDIXWPQWSIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-2-23-18-8-7-13(20(24)14-5-3-4-6-17(14)21)11-15(18)16-12-22-10-9-19(16)23/h3-12H,2H2,1H3.
What are the key properties of (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone has a molecular weight of 334.81 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone is sourced from PubChem (CID 52915289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).