(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one

C24H24N4O2S — CID 40973898

IUPAC(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one
SMILESCOc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)N4CCCc5ccccc54)n3c2c1
InChIInChI=1S/C24H24N4O2S/c1-15-13-22-25-26-24(28(22)21-14-18(30-3)10-11-19(15)21)31-16(2)23(29)27-12-6-8-17-7-4-5-9-20(17)27/h4-5,7,9-11,13-14,16H,6,8,12H2,1-3H3/t16-/m1/s1
InChIKeyACSJIZFPSLICEZ-MRXNPFEDSA-N
MW432.55 g/mol
LogP4.66
Rot. Bonds4

About (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one

(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one (PubChem CID 40973898) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one
PubChem CID40973898
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one
SMILESCOc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)N4CCCc5ccccc54)n3c2c1
InChIInChI=1S/C24H24N4O2S/c1-15-13-22-25-26-24(28(22)21-14-18(30-3)10-11-19(15)21)31-16(2)23(29)27-12-6-8-17-7-4-5-9-20(17)27/h4-5,7,9-11,13-14,16H,6,8,12H2,1-3H3/t16-/m1/s1
InChIKeyACSJIZFPSLICEZ-MRXNPFEDSA-N
XLogP4.66
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one with MolForge

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Related Compounds

(2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 40973836
N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 16567178
1-(4-ethylpiperazin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one
CID 55309075
(2R)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 40973914
N-benzyl-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methylpropanamide
CID 55309097
2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
CID 55309139
2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55309057
1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one
CID 18091330
N-(1,3-benzothiazol-2-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 55753771
N-(2,4-difluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 16567171
2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 112776213
methyl 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoate
CID 3168542

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one?
The IUPAC name of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one (CID 40973898) is (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one.
What is the SMILES notation for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one?
The canonical SMILES for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one is COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)N4CCCc5ccccc54)n3c2c1.
What is the InChIKey of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one?
The InChIKey is ACSJIZFPSLICEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15-13-22-25-26-24(28(22)21-14-18(30-3)10-11-19(15)21)31-16(2)23(29)27-12-6-8-17-7-4-5-9-20(17)27/h4-5,7,9-11,13-14,16H,6,8,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one?
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one has a molecular weight of 432.55 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one is sourced from PubChem (CID 40973898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).