5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide

C20H15ClN4O — CID 57393887

IUPAC5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
SMILESCNC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C20H15ClN4O/c1-22-20(26)16-7-3-6-14-17-11-23-9-8-15(17)19(25-18(14)16)24-13-5-2-4-12(21)10-13/h2-11H,1H3,(H,22,26)(H,24,25)
InChIKeyCQZYFTGZTQNFBI-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.54
Rot. Bonds3

About 5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide

5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide (PubChem CID 57393887) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
PubChem CID57393887
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
SMILESCNC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C20H15ClN4O/c1-22-20(26)16-7-3-6-14-17-11-23-9-8-15(17)19(25-18(14)16)24-13-5-2-4-12(21)10-13/h2-11H,1H3,(H,22,26)(H,24,25)
InChIKeyCQZYFTGZTQNFBI-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
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'}

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Related Compounds

VX-984
CID 72188357
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 11518307
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
CID 11612290
5-(3-chloroanilino)-N-(2-morpholin-4-ylethyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57876932
N-(2-aminoethyl)-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57877024
6-[(2-Chloro-4,6-difluorophenyl)amino]pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one
CID 59436049
6-(2,6-dichloro-4-fluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59436062
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 132213544
CK2 Inhibitor 2
CID 156621381
Methyl 3-[[5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carbonyl]amino]propanoate
CID 156861592
3-Pyridinecarboxamide, 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methyl-
CID 11855958
Pyrazine-Pyridine Biheteroaryl 42
CID 5330370

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide (CID 57393887) is 5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide is CNC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide?
The InChIKey is CQZYFTGZTQNFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-22-20(26)16-7-3-6-14-17-11-23-9-8-15(17)19(25-18(14)16)24-13-5-2-4-12(21)10-13/h2-11H,1H3,(H,22,26)(H,24,25).
What are the key properties of 5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide?
5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide is sourced from PubChem (CID 57393887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).