8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine

C20H17N3 — CID 58213779

IUPAC8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine
SMILESNc1nc2cc(CCc3ccccc3)ccc2c2cccnc12
InChIInChI=1S/C20H17N3/c21-20-19-17(7-4-12-22-19)16-11-10-15(13-18(16)23-20)9-8-14-5-2-1-3-6-14/h1-7,10-13H,8-9H2,(H2,21,23)
InChIKeyIWRVBMRHDKDIAX-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.15
Rot. Bonds3

About 8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine

8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine (PubChem CID 58213779) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine
PubChem CID58213779
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine
SMILESNc1nc2cc(CCc3ccccc3)ccc2c2cccnc12
InChIInChI=1S/C20H17N3/c21-20-19-17(7-4-12-22-19)16-11-10-15(13-18(16)23-20)9-8-14-5-2-1-3-6-14/h1-7,10-13H,8-9H2,(H2,21,23)
InChIKeyIWRVBMRHDKDIAX-UHFFFAOYSA-N
XLogP4.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine (CID 58213779) is 8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine is Nc1nc2cc(CCc3ccccc3)ccc2c2cccnc12.
What is the InChIKey of 8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine?
The InChIKey is IWRVBMRHDKDIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c21-20-19-17(7-4-12-22-19)16-11-10-15(13-18(16)23-20)9-8-14-5-2-1-3-6-14/h1-7,10-13H,8-9H2,(H2,21,23).
What are the key properties of 8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine?
8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine has a molecular weight of 299.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 58213779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).