N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide

C25H27ClN2O3 — CID 42690370

IUPACN-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide
SMILESCC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C25H27ClN2O3/c1-16(2)22-13-25(30)28(14-17-4-3-5-17)23-12-20(10-11-21(22)23)31-15-24(29)27-19-8-6-18(26)7-9-19/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,27,29)
InChIKeyOOVXGFNXHLPEQX-UHFFFAOYSA-N
MW438.96 g/mol
LogP5.60
Rot. Bonds7

About N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide

N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide (PubChem CID 42690370) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide
PubChem CID42690370
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC NameN-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide
SMILESCC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C25H27ClN2O3/c1-16(2)22-13-25(30)28(14-17-4-3-5-17)23-12-20(10-11-21(22)23)31-15-24(29)27-19-8-6-18(26)7-9-19/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,27,29)
InChIKeyOOVXGFNXHLPEQX-UHFFFAOYSA-N
XLogP5.60
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[1-(cyclopropylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxyacetamide
CID 42877921
2-[1-(cyclopropylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 42878034
N-cyclopropyl-2-(1-ethyl-2-oxo-4-propan-2-ylquinolin-7-yl)oxyacetamide
CID 42690310
2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide
CID 42877942
2-(1-ethyl-4-methyl-2-oxoquinolin-7-yl)oxy-N-phenylacetamide
CID 42690240
N-(4-chlorophenyl)-2-(3-ethoxyphenoxy)acetamide
CID 112977797
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 7700509
N-(4-chlorophenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7740212
N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide
CID 42877975
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide (CID 42690370) is N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide is CC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc12.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
The InChIKey is OOVXGFNXHLPEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3/c1-16(2)22-13-25(30)28(14-17-4-3-5-17)23-12-20(10-11-21(22)23)31-15-24(29)27-19-8-6-18(26)7-9-19/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide?
N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide has a molecular weight of 438.96 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-(cyclobutylmethyl)-2-oxo-4-propan-2-ylquinolin-7-yl]oxyacetamide is sourced from PubChem (CID 42690370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).