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

C23H17ClFN3O2 — CID 155127650

IUPAC(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide
SMILESC[C@@H](Oc1ccc2c(-c3ccc(F)cc3Cl)ccnc2c1)C(=O)Nc1ccncc1
InChIInChI=1S/C23H17ClFN3O2/c1-14(23(29)28-16-6-9-26-10-7-16)30-17-3-5-20-18(8-11-27-22(20)13-17)19-4-2-15(25)12-21(19)24/h2-14H,1H3,(H,26,28,29)/t14-/m1/s1
InChIKeyWJBJWFLCQOQEAX-CQSZACIVSA-N
MW421.86 g/mol
LogP5.50
Rot. Bonds5

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

(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide (PubChem CID 155127650) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide
PubChem CID155127650
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC Name(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide
SMILESC[C@@H](Oc1ccc2c(-c3ccc(F)cc3Cl)ccnc2c1)C(=O)Nc1ccncc1
InChIInChI=1S/C23H17ClFN3O2/c1-14(23(29)28-16-6-9-26-10-7-16)30-17-3-5-20-18(8-11-27-22(20)13-17)19-4-2-15(25)12-21(19)24/h2-14H,1H3,(H,26,28,29)/t14-/m1/s1
InChIKeyWJBJWFLCQOQEAX-CQSZACIVSA-N
XLogP5.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide
CID 155127486
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
methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
CID 155141126
2-(4-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 51193889
(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
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
[(3S)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
CID 164782115
ethyl 2-[(3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]pyrrolidin-3-yl]acetate
CID 155141286
2-(3,4-dichlorophenoxy)-N-(2-methyl-4-pyridinyl)propanamide
CID 112838920
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide?
The IUPAC name of (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide (CID 155127650) is (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide?
The canonical SMILES for (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide is C[C@@H](Oc1ccc2c(-c3ccc(F)cc3Cl)ccnc2c1)C(=O)Nc1ccncc1.
What is the InChIKey of (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide?
The InChIKey is WJBJWFLCQOQEAX-CQSZACIVSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c1-14(23(29)28-16-6-9-26-10-7-16)30-17-3-5-20-18(8-11-27-22(20)13-17)19-4-2-15(25)12-21(19)24/h2-14H,1H3,(H,26,28,29)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide?
(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide has a molecular weight of 421.86 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 155127650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).