2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide

C23H24ClN3O2 — CID 75270244

IUPAC2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC3=Nc4c(ccc(Cl)c4C)C(=O)C3C2)c(C)c1
InChIInChI=1S/C23H24ClN3O2/c1-13-4-7-19(14(2)10-13)25-21(28)12-27-9-8-20-17(11-27)23(29)16-5-6-18(24)15(3)22(16)26-20/h4-7,10,17H,8-9,11-12H2,1-3H3,(H,25,28)
InChIKeyKTAWSHRPKXVOIY-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.49
Rot. Bonds3

About 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide

2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 75270244) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID75270244
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC3=Nc4c(ccc(Cl)c4C)C(=O)C3C2)c(C)c1
InChIInChI=1S/C23H24ClN3O2/c1-13-4-7-19(14(2)10-13)25-21(28)12-27-9-8-20-17(11-27)23(29)16-5-6-18(24)15(3)22(16)26-20/h4-7,10,17H,8-9,11-12H2,1-3H3,(H,25,28)
InChIKeyKTAWSHRPKXVOIY-UHFFFAOYSA-N
XLogP4.49
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 75270240
N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 75270209
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 22198769
N-(1,3-benzodioxol-5-yl)-2-(8-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 75271605
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683929
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 103576767
N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655914
N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 81497195

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide (CID 75270244) is 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCC3=Nc4c(ccc(Cl)c4C)C(=O)C3C2)c(C)c1.
What is the InChIKey of 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is KTAWSHRPKXVOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-13-4-7-19(14(2)10-13)25-21(28)12-27-9-8-20-17(11-27)23(29)16-5-6-18(24)15(3)22(16)26-20/h4-7,10,17H,8-9,11-12H2,1-3H3,(H,25,28).
What are the key properties of 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 409.92 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-methyl-10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 75270244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).