4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide

C26H23FN4O2 — CID 156547219

IUPAC4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
SMILESCCNC(=O)c1cnc2ccc(-c3ccc(C(=O)NC)c(F)c3)cc2c1Nc1ccccc1
InChIInChI=1S/C26H23FN4O2/c1-3-29-26(33)21-15-30-23-12-10-16(17-9-11-19(22(27)14-17)25(32)28-2)13-20(23)24(21)31-18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyLWWIPNYTYVXANI-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.89
Rot. Bonds6

About 4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide

4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide (PubChem CID 156547219) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
PubChem CID156547219
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
SMILESCCNC(=O)c1cnc2ccc(-c3ccc(C(=O)NC)c(F)c3)cc2c1Nc1ccccc1
InChIInChI=1S/C26H23FN4O2/c1-3-29-26(33)21-15-30-23-12-10-16(17-9-11-19(22(27)14-17)25(32)28-2)13-20(23)24(21)31-18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyLWWIPNYTYVXANI-UHFFFAOYSA-N
XLogP4.89
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
CID 156631271
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
4-anilino-6-(1-butylpyrazol-4-yl)-N-propan-2-ylquinoline-3-carboxamide
CID 157152212
4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide
CID 156547134
1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]ethanone
CID 161061498
4-anilino-N-methyl-6-[5-(methylcarbamoyl)pyrazin-2-yl]-7-(trifluoromethyl)quinoline-3-carboxamide
CID 156547209
4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
CID 58173125
N-ethyl-2-(5-fluoroquinolin-3-yl)benzamide
CID 155510016
4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide
CID 156547228
2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid
CID 53224372
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
N-ethyl-2-fluoro-4-(4-formylphenyl)benzamide
CID 75537237

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide (CID 156547219) is 4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide is CCNC(=O)c1cnc2ccc(-c3ccc(C(=O)NC)c(F)c3)cc2c1Nc1ccccc1.
What is the InChIKey of 4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide?
The InChIKey is LWWIPNYTYVXANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-3-29-26(33)21-15-30-23-12-10-16(17-9-11-19(22(27)14-17)25(32)28-2)13-20(23)24(21)31-18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of 4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide?
4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 156547219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).