N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C22H17ClFN3O3 — CID 42618052

IUPACN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
InChIInChI=1S/C22H17ClFN3O3/c1-12-20(13(2)30-26-12)22(29)27(16-6-3-5-15(23)10-16)11-14-9-19(28)25-21-17(14)7-4-8-18(21)24/h3-10H,11H2,1-2H3,(H,25,28)
InChIKeyWGIGFPRNVPLYPO-UHFFFAOYSA-N
MW425.85 g/mol
LogP4.77
Rot. Bonds4

About N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 42618052) has the molecular formula C22H17ClFN3O3 and a molecular weight of 425.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID42618052
Molecular FormulaC22H17ClFN3O3
Molecular Weight425.85 g/mol
Exact Mass425.09
IUPAC NameN-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
InChIInChI=1S/C22H17ClFN3O3/c1-12-20(13(2)30-26-12)22(29)27(16-6-3-5-15(23)10-16)11-14-9-19(28)25-21-17(14)7-4-8-18(21)24/h3-10H,11H2,1-2H3,(H,25,28)
InChIKeyWGIGFPRNVPLYPO-UHFFFAOYSA-N
XLogP4.77
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 42618052) is N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=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]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is WGIGFPRNVPLYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O3/c1-12-20(13(2)30-26-12)22(29)27(16-6-3-5-15(23)10-16)11-14-9-19(28)25-21-17(14)7-4-8-18(21)24/h3-10H,11H2,1-2H3,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 425.85 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 42618052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).