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

C21H18N2O2 — CID 52915168

IUPAC(5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone
SMILESCCn1c2ccncc2c2cc(C(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C21H18N2O2/c1-3-23-19-9-6-15(12-17(19)18-13-22-11-10-20(18)23)21(24)14-4-7-16(25-2)8-5-14/h4-13H,3H2,1-2H3
InChIKeyPNANBFBYQOMERO-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.45
Rot. Bonds4

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

(5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone (PubChem CID 52915168) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone
PubChem CID52915168
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name(5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone
SMILESCCn1c2ccncc2c2cc(C(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C21H18N2O2/c1-3-23-19-9-6-15(12-17(19)18-13-22-11-10-20(18)23)21(24)14-4-7-16(25-2)8-5-14/h4-13H,3H2,1-2H3
InChIKeyPNANBFBYQOMERO-UHFFFAOYSA-N
XLogP4.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone (CID 52915168) is (5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone is CCn1c2ccncc2c2cc(C(=O)c3ccc(OC)cc3)ccc21.
What is the InChIKey of (5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone?
The InChIKey is PNANBFBYQOMERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-3-23-19-9-6-15(12-17(19)18-13-22-11-10-20(18)23)21(24)14-4-7-16(25-2)8-5-14/h4-13H,3H2,1-2H3.
What are the key properties of (5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone?
(5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone has a molecular weight of 330.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylpyrido[4,3-b]indol-8-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 52915168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).