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'}

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

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

Launch Full Analysis

Related Compounds

5-(4-chloro-3-fluoroanilino)-N'-diazenylbenzo[c][2,6]naphthyridine-8-carboximidamide
CID 137124950
5-(4-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid;2,2,2-trifluoroacetic acid
CID 50942445
1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol
CID 149488151
5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942443
azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 53241016
5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 136602231
N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638374
4-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]-4-oxobutanoic acid
CID 160845537
6-N-(4-chloro-3-fluorophenyl)isoquinoline-5,6-diamine
CID 106947792
5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide
CID 164616625
1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone
CID 118175984
5-(3-chloroanilino)-N-[2-(dimethylamino)ethyl]benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861584

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).