3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine

C22H21N3O — CID 66893965

IUPAC3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
SMILESCOc1ccc(CCc2ccc3c(n2)c(N)nc2cc(C)ccc23)cc1
InChIInChI=1S/C22H21N3O/c1-14-3-11-18-19-12-8-16(24-21(19)22(23)25-20(18)13-14)7-4-15-5-9-17(26-2)10-6-15/h3,5-6,8-13H,4,7H2,1-2H3,(H2,23,25)
InChIKeyXHNZAHGGNZLXCN-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.47
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine

3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine (PubChem CID 66893965) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
PubChem CID66893965
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine
SMILESCOc1ccc(CCc2ccc3c(n2)c(N)nc2cc(C)ccc23)cc1
InChIInChI=1S/C22H21N3O/c1-14-3-11-18-19-12-8-16(24-21(19)22(23)25-20(18)13-14)7-4-15-5-9-17(26-2)10-6-15/h3,5-6,8-13H,4,7H2,1-2H3,(H2,23,25)
InChIKeyXHNZAHGGNZLXCN-UHFFFAOYSA-N
XLogP4.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine (CID 66893965) is 3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine is COc1ccc(CCc2ccc3c(n2)c(N)nc2cc(C)ccc23)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine?
The InChIKey is XHNZAHGGNZLXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-14-3-11-18-19-12-8-16(24-21(19)22(23)25-20(18)13-14)7-4-15-5-9-17(26-2)10-6-15/h3,5-6,8-13H,4,7H2,1-2H3,(H2,23,25).
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine?
3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine has a molecular weight of 343.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-8-methylbenzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 66893965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).