[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid

C28H33N5O5 — CID 69233569

IUPAC[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid
SMILESCCN(CC(Oc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1)C(C)(C)C)C(=O)O
InChIInChI=1S/C28H33N5O5/c1-7-33(27(34)35)15-25(28(2,3)4)38-17-8-16(12-30-13-17)21-9-18-19-10-23(36-5)24(37-6)11-22(19)31-14-20(18)26(29)32-21/h8-14,25H,7,15H2,1-6H3,(H2,29,32)(H,34,35)
InChIKeyXGDPNYZZKWURGY-UHFFFAOYSA-N
MW519.60 g/mol
LogP5.24
Rot. Bonds8

About [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid

[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid (PubChem CID 69233569) has the molecular formula C28H33N5O5 and a molecular weight of 519.60 g/mol. Its IUPAC name is [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid.

Molecular Properties

Compound Name[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid
PubChem CID69233569
Molecular FormulaC28H33N5O5
Molecular Weight519.60 g/mol
Exact Mass519.25
IUPAC Name[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid
SMILESCCN(CC(Oc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1)C(C)(C)C)C(=O)O
InChIInChI=1S/C28H33N5O5/c1-7-33(27(34)35)15-25(28(2,3)4)38-17-8-16(12-30-13-17)21-9-18-19-10-23(36-5)24(37-6)11-22(19)31-14-20(18)26(29)32-21/h8-14,25H,7,15H2,1-6H3,(H2,29,32)(H,34,35)
InChIKeyXGDPNYZZKWURGY-UHFFFAOYSA-N
XLogP5.24
TPSA132.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.60
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid?
The IUPAC name of [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid (CID 69233569) is [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid.
What is the SMILES notation for [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid?
The canonical SMILES for [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid is CCN(CC(Oc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1)C(C)(C)C)C(=O)O.
What is the InChIKey of [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid?
The InChIKey is XGDPNYZZKWURGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O5/c1-7-33(27(34)35)15-25(28(2,3)4)38-17-8-16(12-30-13-17)21-9-18-19-10-23(36-5)24(37-6)11-22(19)31-14-20(18)26(29)32-21/h8-14,25H,7,15H2,1-6H3,(H2,29,32)(H,34,35).
What are the key properties of [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid?
[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid has a molecular weight of 519.60 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid is sourced from PubChem (CID 69233569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).