3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine

C15H15N3 — CID 66875756

IUPAC3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine
SMILESCC(C)c1ccc2c(n1)c(N)nc1ccccc12
InChIInChI=1S/C15H15N3/c1-9(2)12-8-7-11-10-5-3-4-6-13(10)18-15(16)14(11)17-12/h3-9H,1-2H3,(H2,16,18)
InChIKeyRNXVFNUFVGYJGW-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.49
Rot. Bonds1

About 3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine

3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine (PubChem CID 66875756) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine
PubChem CID66875756
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine
SMILESCC(C)c1ccc2c(n1)c(N)nc1ccccc12
InChIInChI=1S/C15H15N3/c1-9(2)12-8-7-11-10-5-3-4-6-13(10)18-15(16)14(11)17-12/h3-9H,1-2H3,(H2,16,18)
InChIKeyRNXVFNUFVGYJGW-UHFFFAOYSA-N
XLogP3.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.49
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-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine (CID 66875756) is 3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine is CC(C)c1ccc2c(n1)c(N)nc1ccccc12.
What is the InChIKey of 3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine?
The InChIKey is RNXVFNUFVGYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-9(2)12-8-7-11-10-5-3-4-6-13(10)18-15(16)14(11)17-12/h3-9H,1-2H3,(H2,16,18).
What are the key properties of 3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine?
3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine has a molecular weight of 237.31 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 66875756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).