2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide

C22H23N3O2 — CID 53114067

IUPAC2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide
SMILESCc1ccc2c(=O)c3c([nH]c2c1C)CCN(CC(=O)Nc1ccccc1)C3
InChIInChI=1S/C22H23N3O2/c1-14-8-9-17-21(15(14)2)24-19-10-11-25(12-18(19)22(17)27)13-20(26)23-16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAKSCAMFXJJHSLH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.14
Rot. Bonds3

About 2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide

2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide (PubChem CID 53114067) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide
PubChem CID53114067
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide
SMILESCc1ccc2c(=O)c3c([nH]c2c1C)CCN(CC(=O)Nc1ccccc1)C3
InChIInChI=1S/C22H23N3O2/c1-14-8-9-17-21(15(14)2)24-19-10-11-25(12-18(19)22(17)27)13-20(26)23-16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAKSCAMFXJJHSLH-UHFFFAOYSA-N
XLogP3.14
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 53114076
ethyl 4-[[2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetyl]amino]benzoate
CID 53114075
ethyl 4-[[2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetyl]amino]benzoate
CID 50827516
N-(3-chloro-4-methoxyphenyl)-2-(8-fluoro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 53114170
N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 53337965
2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 21231097
N-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8897194
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 36817650
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 60585254
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
CID 53109812

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide (CID 53114067) is 2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide is Cc1ccc2c(=O)c3c([nH]c2c1C)CCN(CC(=O)Nc1ccccc1)C3.
What is the InChIKey of 2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide?
The InChIKey is AKSCAMFXJJHSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-8-9-17-21(15(14)2)24-19-10-11-25(12-18(19)22(17)27)13-20(26)23-16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide?
2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide has a molecular weight of 361.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide is sourced from PubChem (CID 53114067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).