N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide

C28H26FN3O4 — CID 46686426

IUPACN-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCOc1cc(NC(=O)c2cc(C)nc3cc(F)ccc23)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H26FN3O4/c1-4-35-25-16-24(26(36-5-2)15-23(25)31-27(33)18-9-7-6-8-10-18)32-28(34)21-13-17(3)30-22-14-19(29)11-12-20(21)22/h6-16H,4-5H2,1-3H3,(H,31,33)(H,32,34)
InChIKeyMMSUFALTVXDOTL-UHFFFAOYSA-N
MW487.53 g/mol
LogP5.98
Rot. Bonds8

About N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide

N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 46686426) has the molecular formula C28H26FN3O4 and a molecular weight of 487.53 g/mol. Its IUPAC name is N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID46686426
Molecular FormulaC28H26FN3O4
Molecular Weight487.53 g/mol
Exact Mass487.19
IUPAC NameN-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCOc1cc(NC(=O)c2cc(C)nc3cc(F)ccc23)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H26FN3O4/c1-4-35-25-16-24(26(36-5-2)15-23(25)31-27(33)18-9-7-6-8-10-18)32-28(34)21-13-17(3)30-22-14-19(29)11-12-20(21)22/h6-16H,4-5H2,1-3H3,(H,31,33)(H,32,34)
InChIKeyMMSUFALTVXDOTL-UHFFFAOYSA-N
XLogP5.98
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686523
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686472
N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
CID 2103386
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 39119523
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 1172430
methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate
CID 95155866

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide (CID 46686426) is N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide is CCOc1cc(NC(=O)c2cc(C)nc3cc(F)ccc23)c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is MMSUFALTVXDOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4/c1-4-35-25-16-24(26(36-5-2)15-23(25)31-27(33)18-9-7-6-8-10-18)32-28(34)21-13-17(3)30-22-14-19(29)11-12-20(21)22/h6-16H,4-5H2,1-3H3,(H,31,33)(H,32,34).
What are the key properties of N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46686426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).