2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide

C23H28N4O3S — CID 30235638

IUPAC2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
SMILESCCn1c(CCC(=O)N2CCCc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H28N4O3S/c1-4-26-21-12-11-18(31(29,30)25(2)3)16-19(21)24-22(26)13-14-23(28)27-15-7-9-17-8-5-6-10-20(17)27/h5-6,8,10-12,16H,4,7,9,13-15H2,1-3H3
InChIKeyQRLDJUAKYNAROJ-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.22
Rot. Bonds6

About 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide

2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide (PubChem CID 30235638) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
PubChem CID30235638
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
SMILESCCn1c(CCC(=O)N2CCCc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H28N4O3S/c1-4-26-21-12-11-18(31(29,30)25(2)3)16-19(21)24-22(26)13-14-23(28)27-15-7-9-17-8-5-6-10-20(17)27/h5-6,8,10-12,16H,4,7,9,13-15H2,1-3H3
InChIKeyQRLDJUAKYNAROJ-UHFFFAOYSA-N
XLogP3.22
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
The IUPAC name of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide (CID 30235638) is 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide is CCn1c(CCC(=O)N2CCCc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
The InChIKey is QRLDJUAKYNAROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-26-21-12-11-18(31(29,30)25(2)3)16-19(21)24-22(26)13-14-23(28)27-15-7-9-17-8-5-6-10-20(17)27/h5-6,8,10-12,16H,4,7,9,13-15H2,1-3H3.
What are the key properties of 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide has a molecular weight of 440.57 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 30235638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).