(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide

C22H22ClFN2O2 — CID 155127486

IUPAC(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@@H](C)Oc1ccc2c(-c3ccc(F)cc3Cl)ccnc2c1
InChIInChI=1S/C22H22ClFN2O2/c1-13(2)26(4)22(27)14(3)28-16-6-8-19-17(9-10-25-21(19)12-16)18-7-5-15(24)11-20(18)23/h5-14H,1-4H3/t14-/m1/s1
InChIKeyRDMXFRAZVCQIFL-CQSZACIVSA-N
MW400.88 g/mol
LogP5.33
Rot. Bonds5

About (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide

(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide (PubChem CID 155127486) has the molecular formula C22H22ClFN2O2 and a molecular weight of 400.88 g/mol. Its IUPAC name is (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide
PubChem CID155127486
Molecular FormulaC22H22ClFN2O2
Molecular Weight400.88 g/mol
Exact Mass400.14
IUPAC Name(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@@H](C)Oc1ccc2c(-c3ccc(F)cc3Cl)ccnc2c1
InChIInChI=1S/C22H22ClFN2O2/c1-13(2)26(4)22(27)14(3)28-16-6-8-19-17(9-10-25-21(19)12-16)18-7-5-15(24)11-20(18)23/h5-14H,1-4H3/t14-/m1/s1
InChIKeyRDMXFRAZVCQIFL-CQSZACIVSA-N
XLogP5.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.88
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide
CID 155127650
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(3,5-dimethylpiperazin-1-yl)propan-1-one
CID 155127807
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 155127340
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 155127499
[(3S)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
CID 164782115
(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(2-oxa-8-azaspiro[3.5]nonan-8-yl)propan-1-one
CID 155127567
methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
CID 155141126
ethyl 2-[(3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]pyrrolidin-3-yl]acetate
CID 155141286
2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 155694760
ethyl (2R)-2-[1-chloro-4-(2-chloro-4-fluorophenyl)isoquinolin-7-yl]oxypropanoate
CID 167498191
N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide
CID 164782110
2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid
CID 155694759

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide (CID 155127486) is (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide is CC(C)N(C)C(=O)[C@@H](C)Oc1ccc2c(-c3ccc(F)cc3Cl)ccnc2c1.
What is the InChIKey of (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is RDMXFRAZVCQIFL-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22ClFN2O2/c1-13(2)26(4)22(27)14(3)28-16-6-8-19-17(9-10-25-21(19)12-16)18-7-5-15(24)11-20(18)23/h5-14H,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide?
(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 400.88 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 155127486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).