2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

C25H27FN4O4S — CID 25499771

IUPAC2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c2C1
InChIInChI=1S/C25H27FN4O4S/c1-2-29-10-9-22-19(16-29)24(18-5-3-4-6-21(18)28-22)25(31)27-17-7-8-20(26)23(15-17)35(32,33)30-11-13-34-14-12-30/h3-8,15H,2,9-14,16H2,1H3,(H,27,31)
InChIKeyOYOJYXUDKOBVCA-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.03
Rot. Bonds5

About 2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 25499771) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
PubChem CID25499771
Molecular FormulaC25H27FN4O4S
Molecular Weight498.58 g/mol
Exact Mass498.17
IUPAC Name2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c2C1
InChIInChI=1S/C25H27FN4O4S/c1-2-29-10-9-22-19(16-29)24(18-5-3-4-6-21(18)28-22)25(31)27-17-7-8-20(26)23(15-17)35(32,33)30-11-13-34-14-12-30/h3-8,15H,2,9-14,16H2,1H3,(H,27,31)
InChIKeyOYOJYXUDKOBVCA-UHFFFAOYSA-N
XLogP3.03
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804857
N-(2,6-difluorophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792780
N-(3,4-dimethoxyphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804845
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46815982
2-ethyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108733226
N-(4-chloro-2-pyridinyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792777
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 17431718
N-(9,10-dioxoanthracen-1-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792798
N-(2-cyanophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792712
N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-ylacetamide
CID 18158882

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The IUPAC name of 2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 25499771) is 2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)c2C1.
What is the InChIKey of 2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The InChIKey is OYOJYXUDKOBVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c1-2-29-10-9-22-19(16-29)24(18-5-3-4-6-21(18)28-22)25(31)27-17-7-8-20(26)23(15-17)35(32,33)30-11-13-34-14-12-30/h3-8,15H,2,9-14,16H2,1H3,(H,27,31).
What are the key properties of 2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 25499771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).