N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide

C23H24ClN3O3 — CID 53113963

IUPACN-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCc3c(c(=O)c4cc(C)ccc4n3C)C2)cc1Cl
InChIInChI=1S/C23H24ClN3O3/c1-14-4-6-19-16(10-14)23(29)17-12-27(9-8-20(17)26(19)2)13-22(28)25-15-5-7-21(30-3)18(24)11-15/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,25,28)
InChIKeyWDUGVYXNAWJBPT-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.51
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide (PubChem CID 53113963) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide
PubChem CID53113963
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCc3c(c(=O)c4cc(C)ccc4n3C)C2)cc1Cl
InChIInChI=1S/C23H24ClN3O3/c1-14-4-6-19-16(10-14)23(29)17-12-27(9-8-20(17)26(19)2)13-22(28)25-15-5-7-21(30-3)18(24)11-15/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,25,28)
InChIKeyWDUGVYXNAWJBPT-UHFFFAOYSA-N
XLogP3.51
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide (CID 53113963) is N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide is COc1ccc(NC(=O)CN2CCc3c(c(=O)c4cc(C)ccc4n3C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide?
The InChIKey is WDUGVYXNAWJBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-14-4-6-19-16(10-14)23(29)17-12-27(9-8-20(17)26(19)2)13-22(28)25-15-5-7-21(30-3)18(24)11-15/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,25,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide has a molecular weight of 425.92 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide is sourced from PubChem (CID 53113963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).