N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide

C20H18ClFN2O2 — CID 42618054

IUPACN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClFN2O2/c1-12(2)20(26)24(15-6-3-5-14(21)10-15)11-13-9-18(25)23-19-16(13)7-4-8-17(19)22/h3-10,12H,11H2,1-2H3,(H,23,25)
InChIKeySVQUSXPSFACFNF-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.51
Rot. Bonds4

About N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide

N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide (PubChem CID 42618054) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide
PubChem CID42618054
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC NameN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClFN2O2/c1-12(2)20(26)24(15-6-3-5-14(21)10-15)11-13-9-18(25)23-19-16(13)7-4-8-17(19)22/h3-10,12H,11H2,1-2H3,(H,23,25)
InChIKeySVQUSXPSFACFNF-UHFFFAOYSA-N
XLogP4.51
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide (CID 42618054) is N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide is CC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide?
The InChIKey is SVQUSXPSFACFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-12(2)20(26)24(15-6-3-5-14(21)10-15)11-13-9-18(25)23-19-16(13)7-4-8-17(19)22/h3-10,12H,11H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide?
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide has a molecular weight of 372.83 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 42618054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).