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

C16H15N3O — CID 118102887

IUPAC2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine
SMILESC=C(OCC)c1cnc2c(N)nc3ccccc3c2c1
InChIInChI=1S/C16H15N3O/c1-3-20-10(2)11-8-13-12-6-4-5-7-14(12)19-16(17)15(13)18-9-11/h4-9H,2-3H2,1H3,(H2,17,19)
InChIKeySPCFGXVQXQKRJH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.37
Rot. Bonds3

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

2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine (PubChem CID 118102887) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine
PubChem CID118102887
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine
SMILESC=C(OCC)c1cnc2c(N)nc3ccccc3c2c1
InChIInChI=1S/C16H15N3O/c1-3-20-10(2)11-8-13-12-6-4-5-7-14(12)19-16(17)15(13)18-9-11/h4-9H,2-3H2,1H3,(H2,17,19)
InChIKeySPCFGXVQXQKRJH-UHFFFAOYSA-N
XLogP3.37
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(6-Methoxy-3-pyridyl)-5-(6-quinolyl)pyridin-2-amine
CID 53312320
2-[8-Azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol
CID 139592531
2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546860
2-[3-[3-(6,6-Dimethyl-2,5-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547091
3-Butoxymethyl-2-(4-methyl-piperazin-1-yl)-4-phenyl-quinoline
CID 44286630
2-(3-(3-(2,2-dimethyl-3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl)azetidin-1-yl)quinoline and 2-(3-(3-(6,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl)azetidin-1-yl)quinoline
CID 54675452
8-(2,3-Dihydro-1-benzofuran-5-yl)-1,7-naphthyridin-6-amine
CID 172435452
5-[4-(Trifluoromethoxy)phenyl]-1,7-naphthyridin-8-amine
CID 172435964
8-[4-(Trifluoromethoxy)phenyl]-1,7-naphthyridin-6-amine
CID 172437713
8-(2-Methoxy-5-propan-2-ylphenyl)-1,7-naphthyridin-6-amine
CID 172438148
5-[4-(2-ethoxyethyl)quinolin-3-yl]-N,N-diethylpyridin-2-amine
CID 172464359
5-[4-(2-ethoxyethyl)quinolin-2-yl]-N,N-diethylpyridin-2-amine
CID 172469549

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine (CID 118102887) is 2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine is C=C(OCC)c1cnc2c(N)nc3ccccc3c2c1.
What is the InChIKey of 2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine?
The InChIKey is SPCFGXVQXQKRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-20-10(2)11-8-13-12-6-4-5-7-14(12)19-16(17)15(13)18-9-11/h4-9H,2-3H2,1H3,(H2,17,19).
What are the key properties of 2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine?
2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine has a molecular weight of 265.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)benzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 118102887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).