4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide

C28H33N5O — CID 123502871

IUPAC4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide
SMILESCc1ccc2c(c1)nc(N)c1nccc(CCc3ccc(C(=O)N(C)CCN(C)C)cc3C)c12
InChIInChI=1S/C28H33N5O/c1-18-6-11-23-24(16-18)31-27(29)26-25(23)21(12-13-30-26)9-7-20-8-10-22(17-19(20)2)28(34)33(5)15-14-32(3)4/h6,8,10-13,16-17H,7,9,14-15H2,1-5H3,(H2,29,31)
InChIKeyJVDOIXPYKIVNAH-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.40
Rot. Bonds7

About 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide

4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide (PubChem CID 123502871) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide
PubChem CID123502871
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC Name4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide
SMILESCc1ccc2c(c1)nc(N)c1nccc(CCc3ccc(C(=O)N(C)CCN(C)C)cc3C)c12
InChIInChI=1S/C28H33N5O/c1-18-6-11-23-24(16-18)31-27(29)26-25(23)21(12-13-30-26)9-7-20-8-10-22(17-19(20)2)28(34)33(5)15-14-32(3)4/h6,8,10-13,16-17H,7,9,14-15H2,1-5H3,(H2,29,31)
InChIKeyJVDOIXPYKIVNAH-UHFFFAOYSA-N
XLogP4.40
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide?
The IUPAC name of 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide (CID 123502871) is 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide is Cc1ccc2c(c1)nc(N)c1nccc(CCc3ccc(C(=O)N(C)CCN(C)C)cc3C)c12.
What is the InChIKey of 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide?
The InChIKey is JVDOIXPYKIVNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-18-6-11-23-24(16-18)31-27(29)26-25(23)21(12-13-30-26)9-7-20-8-10-22(17-19(20)2)28(34)33(5)15-14-32(3)4/h6,8,10-13,16-17H,7,9,14-15H2,1-5H3,(H2,29,31).
What are the key properties of 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide?
4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide has a molecular weight of 455.61 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-N-[2-(dimethylamino)ethyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 123502871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).