2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide

C20H18Cl2N4O — CID 53464883

IUPAC2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESNc1c2c(nc3ccccc13)CCN(CC(=O)Nc1cc(Cl)ccc1Cl)C2
InChIInChI=1S/C20H18Cl2N4O/c21-12-5-6-15(22)18(9-12)25-19(27)11-26-8-7-17-14(10-26)20(23)13-3-1-2-4-16(13)24-17/h1-6,9H,7-8,10-11H2,(H2,23,24)(H,25,27)
InChIKeyMYFOTNVMWIEJAG-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.12
Rot. Bonds3

About 2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide

2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 53464883) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is 2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide
PubChem CID53464883
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC Name2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESNc1c2c(nc3ccccc13)CCN(CC(=O)Nc1cc(Cl)ccc1Cl)C2
InChIInChI=1S/C20H18Cl2N4O/c21-12-5-6-15(22)18(9-12)25-19(27)11-26-8-7-17-14(10-26)20(23)13-3-1-2-4-16(13)24-17/h1-6,9H,7-8,10-11H2,(H2,23,24)(H,25,27)
InChIKeyMYFOTNVMWIEJAG-UHFFFAOYSA-N
XLogP4.12
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
CID 53465072
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23887561
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-1-benzofuran-7-yl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
CID 46213295
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
N-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 51170465
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259761
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999

Frequently Asked Questions

What is the IUPAC name of 2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide (CID 53464883) is 2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide is Nc1c2c(nc3ccccc13)CCN(CC(=O)Nc1cc(Cl)ccc1Cl)C2.
What is the InChIKey of 2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is MYFOTNVMWIEJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O/c21-12-5-6-15(22)18(9-12)25-19(27)11-26-8-7-17-14(10-26)20(23)13-3-1-2-4-16(13)24-17/h1-6,9H,7-8,10-11H2,(H2,23,24)(H,25,27).
What are the key properties of 2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide?
2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 401.30 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-amino-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 53464883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).