4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide

C23H23FN4O4 — CID 11328073

IUPAC4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3c(C)cc(C(=O)N4CCOCC4)cc23)ccc1F
InChIInChI=1S/C23H23FN4O4/c1-13-9-14(23(30)28-5-7-32-8-6-28)10-16-20(13)26-12-17(22(25)29)21(16)27-15-3-4-18(24)19(11-15)31-2/h3-4,9-12H,5-8H2,1-2H3,(H2,25,29)(H,26,27)
InChIKeyXSKPNFHGYMZXRG-UHFFFAOYSA-N
MW438.46 g/mol
LogP3.01
Rot. Bonds5

About 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide

4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide (PubChem CID 11328073) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
PubChem CID11328073
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3c(C)cc(C(=O)N4CCOCC4)cc23)ccc1F
InChIInChI=1S/C23H23FN4O4/c1-13-9-14(23(30)28-5-7-32-8-6-28)10-16-20(13)26-12-17(22(25)29)21(16)27-15-3-4-18(24)19(11-15)31-2/h3-4,9-12H,5-8H2,1-2H3,(H2,25,29)(H,26,27)
InChIKeyXSKPNFHGYMZXRG-UHFFFAOYSA-N
XLogP3.01
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide with MolForge

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Related Compounds

Gsk-256066
CID 9827968
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 16755780
HPGDS inhibitor 2
CID 129247606
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
4-[(3-Methoxyphenyl)amino]-2-Phenyl-7,8-Dihydro-1,6-Naphthyridin-5(6h)-One
CID 53493858
4-(4-Fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11350199
3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493993
N-[2-(dimethylamino)ethyl]-3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493995
N-cyclopropyl-3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53494537
Quinolinium, 7-amino-4-(2-methoxy-p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-1-methyl-, dibromide
CID 3052478
6-Ethoxy-4-(3-morpholin-4-yl-propylamino)-quinoline-3-carboxylic acid ethyl ester
CID 16804582
4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-1-methoxy-
CID 150543

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The IUPAC name of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide (CID 11328073) is 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide is COc1cc(Nc2c(C(N)=O)cnc3c(C)cc(C(=O)N4CCOCC4)cc23)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The InChIKey is XSKPNFHGYMZXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-13-9-14(23(30)28-5-7-32-8-6-28)10-16-20(13)26-12-17(22(25)29)21(16)27-15-3-4-18(24)19(11-15)31-2/h3-4,9-12H,5-8H2,1-2H3,(H2,25,29)(H,26,27).
What are the key properties of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide is sourced from PubChem (CID 11328073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).