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

C20H17N3O — CID 52915293

IUPAC(4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
SMILESCCn1c2ccncc2c2cc(C(=O)c3ccc(N)cc3)ccc21
InChIInChI=1S/C20H17N3O/c1-2-23-18-8-5-14(20(24)13-3-6-15(21)7-4-13)11-16(18)17-12-22-10-9-19(17)23/h3-12H,2,21H2,1H3
InChIKeyUYYQWEAKNZHYGY-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.02
Rot. Bonds3

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

(4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone (PubChem CID 52915293) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is (4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
PubChem CID52915293
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name(4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
SMILESCCn1c2ccncc2c2cc(C(=O)c3ccc(N)cc3)ccc21
InChIInChI=1S/C20H17N3O/c1-2-23-18-8-5-14(20(24)13-3-6-15(21)7-4-13)11-16(18)17-12-22-10-9-19(17)23/h3-12H,2,21H2,1H3
InChIKeyUYYQWEAKNZHYGY-UHFFFAOYSA-N
XLogP4.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
The IUPAC name of (4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone (CID 52915293) is (4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone is CCn1c2ccncc2c2cc(C(=O)c3ccc(N)cc3)ccc21.
What is the InChIKey of (4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
The InChIKey is UYYQWEAKNZHYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-23-18-8-5-14(20(24)13-3-6-15(21)7-4-13)11-16(18)17-12-22-10-9-19(17)23/h3-12H,2,21H2,1H3.
What are the key properties of (4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone?
(4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone is sourced from PubChem (CID 52915293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).