1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol

C20H14ClN3O — CID 149488151

IUPAC1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol
SMILESC=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C20H14ClN3O/c1-12(25)13-5-6-16-18-11-22-8-7-17(18)20(24-19(16)9-13)23-15-4-2-3-14(21)10-15/h2-11,25H,1H2,(H,23,24)
InChIKeyZEOPRVFXNFNMCW-UHFFFAOYSA-N
MW347.81 g/mol
LogP5.71
Rot. Bonds3

About 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol

1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol (PubChem CID 149488151) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol.

Molecular Properties

Compound Name1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol
PubChem CID149488151
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol
SMILESC=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C20H14ClN3O/c1-12(25)13-5-6-16-18-11-22-8-7-17(18)20(24-19(16)9-13)23-15-4-2-3-14(21)10-15/h2-11,25H,1H2,(H,23,24)
InChIKeyZEOPRVFXNFNMCW-UHFFFAOYSA-N
XLogP5.71
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.81
LogP ≤ 55.71
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol?
The IUPAC name of 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol (CID 149488151) is 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol.
What is the SMILES notation for 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol?
The canonical SMILES for 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol is C=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol?
The InChIKey is ZEOPRVFXNFNMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c1-12(25)13-5-6-16-18-11-22-8-7-17(18)20(24-19(16)9-13)23-15-4-2-3-14(21)10-15/h2-11,25H,1H2,(H,23,24).
What are the key properties of 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol?
1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol has a molecular weight of 347.81 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol is sourced from PubChem (CID 149488151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).