N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide

C22H23FN2O2 — CID 110415422

IUPACN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCc1cc(C)c2cc(CCNC(=O)CCc3ccccc3F)c(=O)[nH]c2c1
InChIInChI=1S/C22H23FN2O2/c1-14-11-15(2)18-13-17(22(27)25-20(18)12-14)9-10-24-21(26)8-7-16-5-3-4-6-19(16)23/h3-6,11-13H,7-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWBIJHPKEIDJWAE-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide (PubChem CID 110415422) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
PubChem CID110415422
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCc1cc(C)c2cc(CCNC(=O)CCc3ccccc3F)c(=O)[nH]c2c1
InChIInChI=1S/C22H23FN2O2/c1-14-11-15(2)18-13-17(22(27)25-20(18)12-14)9-10-24-21(26)8-7-16-5-3-4-6-19(16)23/h3-6,11-13H,7-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWBIJHPKEIDJWAE-UHFFFAOYSA-N
XLogP3.58
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110616824
3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110415464
3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 110674043
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110414004
2-(dimethylamino)-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylacetamide
CID 110609132
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 5121477
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110662819
N-[2-(2-fluorophenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31282077
1-[(3-chlorophenyl)methyl]-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110414049
N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331295

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide (CID 110415422) is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide is Cc1cc(C)c2cc(CCNC(=O)CCc3ccccc3F)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is WBIJHPKEIDJWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-14-11-15(2)18-13-17(22(27)25-20(18)12-14)9-10-24-21(26)8-7-16-5-3-4-6-19(16)23/h3-6,11-13H,7-10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide?
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 366.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 110415422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).