3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide

C21H21FN2O2 — CID 110331634

IUPAC3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1cc2cc(CCC(=O)NCc3ccc(F)cc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C21H21FN2O2/c1-13-9-17-11-16(21(26)24-19(17)10-14(13)2)5-8-20(25)23-12-15-3-6-18(22)7-4-15/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKZLKXPGCUTXJBV-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.53
Rot. Bonds5

About 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide

3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 110331634) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID110331634
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1cc2cc(CCC(=O)NCc3ccc(F)cc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C21H21FN2O2/c1-13-9-17-11-16(21(26)24-19(17)10-14(13)2)5-8-20(25)23-12-15-3-6-18(22)7-4-15/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKZLKXPGCUTXJBV-UHFFFAOYSA-N
XLogP3.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110412926
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide
CID 110331606
N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
3-(1,3-benzodioxol-5-yl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608974
3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]urea
CID 1462434
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-propan-2-ylpropanamide
CID 110331604
3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
CID 110666107
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 110662696
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide (CID 110331634) is 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide is Cc1cc2cc(CCC(=O)NCc3ccc(F)cc3)c(=O)[nH]c2cc1C.
What is the InChIKey of 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is KZLKXPGCUTXJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-13-9-17-11-16(21(26)24-19(17)10-14(13)2)5-8-20(25)23-12-15-3-6-18(22)7-4-15/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide?
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 352.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 110331634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).