1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide

C22H21FN2O2 — CID 110415412

IUPAC1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CCNC(=O)C3(c4ccccc4F)CC3)cc2c1
InChIInChI=1S/C22H21FN2O2/c1-14-6-7-19-16(12-14)13-15(20(26)25-19)8-11-24-21(27)22(9-10-22)17-4-2-3-5-18(17)23/h2-7,12-13H,8-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyHNGNQNDBKRSPLE-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.37
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 110415412) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID110415412
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CCNC(=O)C3(c4ccccc4F)CC3)cc2c1
InChIInChI=1S/C22H21FN2O2/c1-14-6-7-19-16(12-14)13-15(20(26)25-19)8-11-24-21(27)22(9-10-22)17-4-2-3-5-18(17)23/h2-7,12-13H,8-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyHNGNQNDBKRSPLE-UHFFFAOYSA-N
XLogP3.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
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N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
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3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide (CID 110415412) is 1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide is Cc1ccc2[nH]c(=O)c(CCNC(=O)C3(c4ccccc4F)CC3)cc2c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is HNGNQNDBKRSPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-14-6-7-19-16(12-14)13-15(20(26)25-19)8-11-24-21(27)22(9-10-22)17-4-2-3-5-18(17)23/h2-7,12-13H,8-11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110415412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).