(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone

C23H23N3O3S2 — CID 27039682

IUPAC(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1
InChIInChI=1S/C23H23N3O3S2/c1-15-24-20(14-30-15)16-5-7-21-18(12-16)9-11-25(21)23(27)19-6-8-22-17(13-19)4-3-10-26(22)31(2,28)29/h5-8,12-14H,3-4,9-11H2,1-2H3
InChIKeyXMBBIHQZJZWDIG-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.03
Rot. Bonds3

About (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone

(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 27039682) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
PubChem CID27039682
Molecular FormulaC23H23N3O3S2
Molecular Weight453.59 g/mol
Exact Mass453.12
IUPAC Name(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1
InChIInChI=1S/C23H23N3O3S2/c1-15-24-20(14-30-15)16-5-7-21-18(12-16)9-11-25(21)23(27)19-6-8-22-17(13-19)4-3-10-26(22)31(2,28)29/h5-8,12-14H,3-4,9-11H2,1-2H3
InChIKeyXMBBIHQZJZWDIG-UHFFFAOYSA-N
XLogP4.03
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone with MolForge

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Related Compounds

N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide
CID 27899421
4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 18109053
4-methyl-2-[[4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 9422843
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 9343863
2-(1-methoxyethyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
CID 136512826
1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 16561897
3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 18270362
(2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 34162563
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 65199902
2-(4-methylpiperazin-4-ium-1-yl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
CID 9343804
1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 53179833
2-(3,4-dimethoxyphenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole
CID 29109661

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone (CID 27039682) is (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone is Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1.
What is the InChIKey of (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is XMBBIHQZJZWDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c1-15-24-20(14-30-15)16-5-7-21-18(12-16)9-11-25(21)23(27)19-6-8-22-17(13-19)4-3-10-26(22)31(2,28)29/h5-8,12-14H,3-4,9-11H2,1-2H3.
What are the key properties of (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 453.59 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 27039682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).