(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide

C24H24ClN3O3S — CID 35577154

IUPAC(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide
SMILESCCCOc1cc2sc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)nc2c2cccnc12
InChIInChI=1S/C24H24ClN3O3S/c1-5-9-30-18-12-19-22(17-7-6-8-26-21(17)18)27-24(32-19)28-23(29)15(4)31-16-10-13(2)20(25)14(3)11-16/h6-8,10-12,15H,5,9H2,1-4H3,(H,27,28,29)/t15-/m1/s1
InChIKeyORXLPBRXRZULBE-OAHLLOKOSA-N
MW469.99 g/mol
LogP6.31
Rot. Bonds7

About (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide

(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide (PubChem CID 35577154) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide
PubChem CID35577154
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide
SMILESCCCOc1cc2sc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)nc2c2cccnc12
InChIInChI=1S/C24H24ClN3O3S/c1-5-9-30-18-12-19-22(17-7-6-8-26-21(17)18)27-24(32-19)28-23(29)15(4)31-16-10-13(2)20(25)14(3)11-16/h6-8,10-12,15H,5,9H2,1-4H3,(H,27,28,29)/t15-/m1/s1
InChIKeyORXLPBRXRZULBE-OAHLLOKOSA-N
XLogP6.31
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.99
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)propanamide
CID 19213791
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19220108
2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide
CID 20895141
(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 26823412
(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823186
(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823201
2-(4-chloro-3,5-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 2968089
5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710399
5-ethoxy-N-propyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710401
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35526865
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 19191588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide (CID 35577154) is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide is CCCOc1cc2sc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)nc2c2cccnc12.
What is the InChIKey of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide?
The InChIKey is ORXLPBRXRZULBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c1-5-9-30-18-12-19-22(17-7-6-8-26-21(17)18)27-24(32-19)28-23(29)15(4)31-16-10-13(2)20(25)14(3)11-16/h6-8,10-12,15H,5,9H2,1-4H3,(H,27,28,29)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide?
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide has a molecular weight of 469.99 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide is sourced from PubChem (CID 35577154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).