2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide

C26H29ClN4O3 — CID 160991735

IUPAC2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(Cl)cc1CC(=O)CN1CCc2nc3ccccc3c(NCC(=O)N(C)C)c2C1
InChIInChI=1S/C26H29ClN4O3/c1-30(2)25(33)14-28-26-20-6-4-5-7-22(20)29-23-10-11-31(16-21(23)26)15-19(32)13-17-12-18(27)8-9-24(17)34-3/h4-9,12H,10-11,13-16H2,1-3H3,(H,28,29)
InChIKeyTUSICERILYOHFP-UHFFFAOYSA-N
MW481.00 g/mol
LogP3.57
Rot. Bonds8

About 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide

2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide (PubChem CID 160991735) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide
PubChem CID160991735
Molecular FormulaC26H29ClN4O3
Molecular Weight481.00 g/mol
Exact Mass480.19
IUPAC Name2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(Cl)cc1CC(=O)CN1CCc2nc3ccccc3c(NCC(=O)N(C)C)c2C1
InChIInChI=1S/C26H29ClN4O3/c1-30(2)25(33)14-28-26-20-6-4-5-7-22(20)29-23-10-11-31(16-21(23)26)15-19(32)13-17-12-18(27)8-9-24(17)34-3/h4-9,12H,10-11,13-16H2,1-3H3,(H,28,29)
InChIKeyTUSICERILYOHFP-UHFFFAOYSA-N
XLogP3.57
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N-cyclohexylacetamide
CID 53465009
N-(5-chloro-2-methoxyphenyl)-2-[10-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
CID 53465011
N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
CID 53465072
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide
CID 53464883
N-(3,4-dimethoxyphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804845
10-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylic acid
CID 67384235
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
2-[[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 46212918
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23887561
N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459
2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 2442028

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide (CID 160991735) is 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide is COc1ccc(Cl)cc1CC(=O)CN1CCc2nc3ccccc3c(NCC(=O)N(C)C)c2C1.
What is the InChIKey of 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide?
The InChIKey is TUSICERILYOHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-30(2)25(33)14-28-26-20-6-4-5-7-22(20)29-23-10-11-31(16-21(23)26)15-19(32)13-17-12-18(27)8-9-24(17)34-3/h4-9,12H,10-11,13-16H2,1-3H3,(H,28,29).
What are the key properties of 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide?
2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide has a molecular weight of 481.00 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 160991735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).