N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide

C19H14ClFN6 — CID 143638479

IUPACN'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide
SMILESN/N=C(\N)c1ccc2c(c1)nc(Nc1ccc(Cl)c(F)c1)c1ccncc12
InChIInChI=1S/C19H14ClFN6/c20-15-4-2-11(8-16(15)21)25-19-13-5-6-24-9-14(13)12-3-1-10(18(22)27-23)7-17(12)26-19/h1-9H,23H2,(H2,22,27)(H,25,26)
InChIKeyGIYPVSYGTMXCBG-UHFFFAOYSA-N
MW380.81 g/mol
LogP3.90
Rot. Bonds3

About N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide

N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide (PubChem CID 143638479) has the molecular formula C19H14ClFN6 and a molecular weight of 380.81 g/mol. Its IUPAC name is N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide.

Molecular Properties

Compound NameN'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide
PubChem CID143638479
Molecular FormulaC19H14ClFN6
Molecular Weight380.81 g/mol
Exact Mass380.10
IUPAC NameN'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide
SMILESN/N=C(\N)c1ccc2c(c1)nc(Nc1ccc(Cl)c(F)c1)c1ccncc12
InChIInChI=1S/C19H14ClFN6/c20-15-4-2-11(8-16(15)21)25-19-13-5-6-24-9-14(13)12-3-1-10(18(22)27-23)7-17(12)26-19/h1-9H,23H2,(H2,22,27)(H,25,26)
InChIKeyGIYPVSYGTMXCBG-UHFFFAOYSA-N
XLogP3.90
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide?
The IUPAC name of N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide (CID 143638479) is N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide.
What is the SMILES notation for N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide?
The canonical SMILES for N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide is N/N=C(\N)c1ccc2c(c1)nc(Nc1ccc(Cl)c(F)c1)c1ccncc12.
What is the InChIKey of N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide?
The InChIKey is GIYPVSYGTMXCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6/c20-15-4-2-11(8-16(15)21)25-19-13-5-6-24-9-14(13)12-3-1-10(18(22)27-23)7-17(12)26-19/h1-9H,23H2,(H2,22,27)(H,25,26).
What are the key properties of N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide?
N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide has a molecular weight of 380.81 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide is sourced from PubChem (CID 143638479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).