[2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium

C20H20N5O2+ — CID 170610538

IUPAC[2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium
SMILESNc1cnc2nc(-c3ccc(C(=O)NO)cc3)c3c(c2c1C=[NH2+])CCCC3
InChIInChI=1S/C20H19N5O2/c21-9-15-16(22)10-23-19-17(15)13-3-1-2-4-14(13)18(24-19)11-5-7-12(8-6-11)20(26)25-27/h5-10,21,27H,1-4,22H2,(H,25,26)/p+1
InChIKeyXKHSEQJGTJLYPX-UHFFFAOYSA-O
MW362.41 g/mol
LogP1.05
Rot. Bonds3

About [2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium

[2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium (PubChem CID 170610538) has the molecular formula C20H20N5O2+ and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium.

Molecular Properties

Compound Name[2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium
PubChem CID170610538
Molecular FormulaC20H20N5O2+
Molecular Weight362.41 g/mol
Exact Mass362.16
IUPAC Name[2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium
SMILESNc1cnc2nc(-c3ccc(C(=O)NO)cc3)c3c(c2c1C=[NH2+])CCCC3
InChIInChI=1S/C20H19N5O2/c21-9-15-16(22)10-23-19-17(15)13-3-1-2-4-14(13)18(24-19)11-5-7-12(8-6-11)20(26)25-27/h5-10,21,27H,1-4,22H2,(H,25,26)/p+1
InChIKeyXKHSEQJGTJLYPX-UHFFFAOYSA-O
XLogP1.05
TPSA126.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium 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-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium?
The IUPAC name of [2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium (CID 170610538) is [2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium.
What is the SMILES notation for [2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium?
The canonical SMILES for [2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium is Nc1cnc2nc(-c3ccc(C(=O)NO)cc3)c3c(c2c1C=[NH2+])CCCC3.
What is the InChIKey of [2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium?
The InChIKey is XKHSEQJGTJLYPX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19N5O2/c21-9-15-16(22)10-23-19-17(15)13-3-1-2-4-14(13)18(24-19)11-5-7-12(8-6-11)20(26)25-27/h5-10,21,27H,1-4,22H2,(H,25,26)/p+1.
What are the key properties of [2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium?
[2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium has a molecular weight of 362.41 g/mol, XLogP of 1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[4-(hydroxycarbamoyl)phenyl]-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-yl]methylideneazanium is sourced from PubChem (CID 170610538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).