5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide

C22H15ClN4O — CID 164616625

IUPAC5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide
SMILESC#CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C22H15ClN4O/c1-2-9-25-22(28)14-6-7-17-19-13-24-10-8-18(19)21(27-20(17)11-14)26-16-5-3-4-15(23)12-16/h1,3-8,10-13H,9H2,(H,25,28)(H,26,27)
InChIKeyJFBBMJYZCRORRG-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.54
Rot. Bonds4

About 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide

5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide (PubChem CID 164616625) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide
PubChem CID164616625
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide
SMILESC#CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C22H15ClN4O/c1-2-9-25-22(28)14-6-7-17-19-13-24-10-8-18(19)21(27-20(17)11-14)26-16-5-3-4-15(23)12-16/h1,3-8,10-13H,9H2,(H,25,28)(H,26,27)
InChIKeyJFBBMJYZCRORRG-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide 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-(3-chloroanilino)-N-[2-(dimethylamino)ethyl]benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861584
azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 53241016
4-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]-4-oxobutanoic acid
CID 160845537
1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol
CID 149488151
2-amino-1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethanone;methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 161096043
5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942443
3-amino-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 58485097
5-(4-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid;2,2,2-trifluoroacetic acid
CID 50942445
5-(3-chloroanilino)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzo[c][2,6]naphthyridine-8-carboxamide
CID 162664856
5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 136602231
N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine
CID 89148355
5-(3-chloroanilino)-N-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]benzo[c][2,6]naphthyridine-8-carboxamide
CID 162668181

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide (CID 164616625) is 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide is C#CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide?
The InChIKey is JFBBMJYZCRORRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c1-2-9-25-22(28)14-6-7-17-19-13-24-10-8-18(19)21(27-20(17)11-14)26-16-5-3-4-15(23)12-16/h1,3-8,10-13H,9H2,(H,25,28)(H,26,27).
What are the key properties of 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide?
5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide is sourced from PubChem (CID 164616625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).