4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide

C26H22ClN3O — CID 22340484

IUPAC4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide
SMILESCN1CCc2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)cc3cc2C1
InChIInChI=1S/C26H22ClN3O/c1-30-13-12-25-21(16-30)14-20-15-23(10-11-24(20)29-25)28-26(31)19-4-2-17(3-5-19)18-6-8-22(27)9-7-18/h2-11,14-15H,12-13,16H2,1H3,(H,28,31)
InChIKeyJQKWKBUGWCNRKE-UHFFFAOYSA-N
MW427.94 g/mol
LogP5.80
Rot. Bonds3

About 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide

4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide (PubChem CID 22340484) has the molecular formula C26H22ClN3O and a molecular weight of 427.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide
PubChem CID22340484
Molecular FormulaC26H22ClN3O
Molecular Weight427.94 g/mol
Exact Mass427.15
IUPAC Name4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide
SMILESCN1CCc2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)cc3cc2C1
InChIInChI=1S/C26H22ClN3O/c1-30-13-12-25-21(16-30)14-20-15-23(10-11-24(20)29-25)28-26(31)19-4-2-17(3-5-19)18-6-8-22(27)9-7-18/h2-11,14-15H,12-13,16H2,1H3,(H,28,31)
InChIKeyJQKWKBUGWCNRKE-UHFFFAOYSA-N
XLogP5.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.94
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide with MolForge

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Related Compounds

4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide
CID 142094964
4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340293
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 4245605
4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide
CID 22340496
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182
4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide
CID 22340315
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide
CID 20823335
4-(4-chlorophenyl)-N-[2-[(dimethylamino)methyl]quinolin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 44527622
4-chloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930119
4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597840

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide (CID 22340484) is 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide is CN1CCc2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)cc3cc2C1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide?
The InChIKey is JQKWKBUGWCNRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O/c1-30-13-12-25-21(16-30)14-20-15-23(10-11-24(20)29-25)28-26(31)19-4-2-17(3-5-19)18-6-8-22(27)9-7-18/h2-11,14-15H,12-13,16H2,1H3,(H,28,31).
What are the key properties of 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide?
4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide has a molecular weight of 427.94 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide is sourced from PubChem (CID 22340484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).