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

C15H15N3O — CID 58213673

IUPAC2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine
SMILESCCOCc1cnc2c(N)nc3ccccc3c2c1
InChIInChI=1S/C15H15N3O/c1-2-19-9-10-7-12-11-5-3-4-6-13(11)18-15(16)14(12)17-8-10/h3-8H,2,9H2,1H3,(H2,16,18)
InChIKeyVFXMGHOGDDYGQI-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.90
Rot. Bonds3

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

2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine (PubChem CID 58213673) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine
PubChem CID58213673
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine
SMILESCCOCc1cnc2c(N)nc3ccccc3c2c1
InChIInChI=1S/C15H15N3O/c1-2-19-9-10-7-12-11-5-3-4-6-13(11)18-15(16)14(12)17-8-10/h3-8H,2,9H2,1H3,(H2,16,18)
InChIKeyVFXMGHOGDDYGQI-UHFFFAOYSA-N
XLogP2.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
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
5-[2-Amino-5-(Quinolin-3-Yl)pyridin-3-Yl]-1,3,4-Oxadiazole-2(3h)-Thione
CID 91754592
5-Fluoro-2-(quinolin-4-ylmethoxy)pyrimidin-4-amine
CID 57819021
8-Fluoro-2-[2-[4-(4-methoxybutyl)phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine
CID 58213789
(5-Amino-3-fluorobenzo[f][1,7]naphthyridin-1-yl)methanol
CID 67450913
3-[(2-Fluoro-6-methoxyphenyl)methyl]-1,5-naphthyridin-2-amine
CID 68552739

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine (CID 58213673) is 2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine is CCOCc1cnc2c(N)nc3ccccc3c2c1.
What is the InChIKey of 2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine?
The InChIKey is VFXMGHOGDDYGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-19-9-10-7-12-11-5-3-4-6-13(11)18-15(16)14(12)17-8-10/h3-8H,2,9H2,1H3,(H2,16,18).
What are the key properties of 2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine?
2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine has a molecular weight of 253.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)benzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 58213673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).