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

C21H17ClN4O — CID 57395612

IUPAC5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide
SMILESCN(C)C(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C21H17ClN4O/c1-26(2)21(27)17-8-4-7-15-18-12-23-10-9-16(18)20(25-19(15)17)24-14-6-3-5-13(22)11-14/h3-12H,1-2H3,(H,24,25)
InChIKeyJKKJNVZWKOURFO-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.88
Rot. Bonds3

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

5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide (PubChem CID 57395612) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide
PubChem CID57395612
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide
SMILESCN(C)C(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C21H17ClN4O/c1-26(2)21(27)17-8-4-7-15-18-12-23-10-9-16(18)20(25-19(15)17)24-14-6-3-5-13(22)11-14/h3-12H,1-2H3,(H,24,25)
InChIKeyJKKJNVZWKOURFO-UHFFFAOYSA-N
XLogP4.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide (CID 57395612) is 5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide is CN(C)C(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide?
The InChIKey is JKKJNVZWKOURFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-26(2)21(27)17-8-4-7-15-18-12-23-10-9-16(18)20(25-19(15)17)24-14-6-3-5-13(22)11-14/h3-12H,1-2H3,(H,24,25).
What are the key properties of 5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide?
5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N,N-dimethylbenzo[c][2,6]naphthyridine-7-carboxamide is sourced from PubChem (CID 57395612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).