2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine

C16H15N3 — CID 58213774

IUPAC2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine
SMILESCC(C)=Cc1cnc2c(N)nc3ccccc3c2c1
InChIInChI=1S/C16H15N3/c1-10(2)7-11-8-13-12-5-3-4-6-14(12)19-16(17)15(13)18-9-11/h3-9H,1-2H3,(H2,17,19)
InChIKeyFOKAULFCQAEHFD-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.79
Rot. Bonds1

About 2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine

2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine (PubChem CID 58213774) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine
PubChem CID58213774
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine
SMILESCC(C)=Cc1cnc2c(N)nc3ccccc3c2c1
InChIInChI=1S/C16H15N3/c1-10(2)7-11-8-13-12-5-3-4-6-14(12)19-16(17)15(13)18-9-11/h3-9H,1-2H3,(H2,17,19)
InChIKeyFOKAULFCQAEHFD-UHFFFAOYSA-N
XLogP3.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.79
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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Related Compounds

2-(trifluoromethyl)benzo[f][1,7]naphthyridin-5-amine
CID 58213640
3-[2-(5-aminobenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol
CID 58213785
2-[2-(2,4,6-trimethylphenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine
CID 66893310
2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine
CID 66892423
2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine
CID 58213761
2-(2-thiophen-3-ylethynyl)benzo[f][1,7]naphthyridin-5-amine
CID 58213627
4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]phenol
CID 58213550
8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine
CID 66892362
3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine
CID 71256499
8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine
CID 58213779
3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine
CID 66875756
8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine
CID 67003796

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine (CID 58213774) is 2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine is CC(C)=Cc1cnc2c(N)nc3ccccc3c2c1.
What is the InChIKey of 2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine?
The InChIKey is FOKAULFCQAEHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-10(2)7-11-8-13-12-5-3-4-6-14(12)19-16(17)15(13)18-9-11/h3-9H,1-2H3,(H2,17,19).
What are the key properties of 2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine?
2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine has a molecular weight of 249.32 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 58213774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).