(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide

C29H29N3O3S — CID 25349930

IUPAC(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCOc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nc2c1
InChIInChI=1S/C29H29N3O3S/c1-20(29(33)30-22-8-10-23(11-9-22)32-14-16-35-17-15-32)36-28-19-26(21-6-4-3-5-7-21)25-13-12-24(34-2)18-27(25)31-28/h3-13,18-20H,14-17H2,1-2H3,(H,30,33)/t20-/m1/s1
InChIKeyKJLRUJZXIKPSDZ-HXUWFJFHSA-N
MW499.64 g/mol
LogP5.87
Rot. Bonds7

About (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide

(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 25349930) has the molecular formula C29H29N3O3S and a molecular weight of 499.64 g/mol. Its IUPAC name is (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID25349930
Molecular FormulaC29H29N3O3S
Molecular Weight499.64 g/mol
Exact Mass499.19
IUPAC Name(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCOc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nc2c1
InChIInChI=1S/C29H29N3O3S/c1-20(29(33)30-22-8-10-23(11-9-22)32-14-16-35-17-15-32)36-28-19-26(21-6-4-3-5-7-21)25-13-12-24(34-2)18-27(25)31-28/h3-13,18-20H,14-17H2,1-2H3,(H,30,33)/t20-/m1/s1
InChIKeyKJLRUJZXIKPSDZ-HXUWFJFHSA-N
XLogP5.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 2548817
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 41156326
4-(7-methoxy-4-phenylquinolin-2-yl)morpholine;oxalic acid
CID 2998399
1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 40679039
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
CID 4679253
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 43024266
2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55309057
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
(2S)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 40792793
(2R)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 40792794
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 42488590
(2R)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40785630

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide (CID 25349930) is (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide is COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nc2c1.
What is the InChIKey of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is KJLRUJZXIKPSDZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H29N3O3S/c1-20(29(33)30-22-8-10-23(11-9-22)32-14-16-35-17-15-32)36-28-19-26(21-6-4-3-5-7-21)25-13-12-24(34-2)18-27(25)31-28/h3-13,18-20H,14-17H2,1-2H3,(H,30,33)/t20-/m1/s1.
What are the key properties of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 499.64 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 25349930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).