3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine

C15H13N3 — CID 71256499

IUPAC3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine
SMILESCC=Cc1ccc2c(n1)c(N)nc1ccccc12
InChIInChI=1S/C15H13N3/c1-2-5-10-8-9-12-11-6-3-4-7-13(11)18-15(16)14(12)17-10/h2-9H,1H3,(H2,16,18)
InChIKeyWWNPPXKIDOTXHE-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.40
Rot. Bonds1

About 3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine

3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine (PubChem CID 71256499) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine
PubChem CID71256499
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine
SMILESCC=Cc1ccc2c(n1)c(N)nc1ccccc12
InChIInChI=1S/C15H13N3/c1-2-5-10-8-9-12-11-6-3-4-7-13(11)18-15(16)14(12)17-10/h2-9H,1H3,(H2,16,18)
InChIKeyWWNPPXKIDOTXHE-UHFFFAOYSA-N
XLogP3.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.40
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 3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine (CID 71256499) is 3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine is CC=Cc1ccc2c(n1)c(N)nc1ccccc12.
What is the InChIKey of 3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine?
The InChIKey is WWNPPXKIDOTXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-5-10-8-9-12-11-6-3-4-7-13(11)18-15(16)14(12)17-10/h2-9H,1H3,(H2,16,18).
What are the key properties of 3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine?
3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine has a molecular weight of 235.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 71256499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).