1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide

C19H24N4O3S — CID 129336915

IUPAC1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)cc21
InChIInChI=1S/C19H24N4O3S/c1-14(24)23-8-2-3-16-4-5-17(12-18(16)23)27(25,26)21-13-15-6-9-22-10-7-20-19(22)11-15/h4-5,7,10,12,15,21H,2-3,6,8-9,11,13H2,1H3/t15-/m1/s1
InChIKeyRLVXLFJGSJMBIK-OAHLLOKOSA-N
MW388.49 g/mol
LogP1.72
Rot. Bonds4

About 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide

1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide (PubChem CID 129336915) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
PubChem CID129336915
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)cc21
InChIInChI=1S/C19H24N4O3S/c1-14(24)23-8-2-3-16-4-5-17(12-18(16)23)27(25,26)21-13-15-6-9-22-10-7-20-19(22)11-15/h4-5,7,10,12,15,21H,2-3,6,8-9,11,13H2,1H3/t15-/m1/s1
InChIKeyRLVXLFJGSJMBIK-OAHLLOKOSA-N
XLogP1.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide with MolForge

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Related Compounds

1-acetyl-N-[2-(cycloheptylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119987148
(2S)-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129342004
4-(2-oxopyrrolidin-1-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129329458
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947
1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120582357
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964737
4-chloro-3-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129003002
1-acetyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 128999323
5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide
CID 129339275
1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964163
1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119972412
1-acetyl-N-[2-(4-aminophenyl)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 120715780

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The IUPAC name of 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide (CID 129336915) is 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The canonical SMILES for 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide is CC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)cc21.
What is the InChIKey of 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The InChIKey is RLVXLFJGSJMBIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14(24)23-8-2-3-16-4-5-17(12-18(16)23)27(25,26)21-13-15-6-9-22-10-7-20-19(22)11-15/h4-5,7,10,12,15,21H,2-3,6,8-9,11,13H2,1H3/t15-/m1/s1.
What are the key properties of 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide is sourced from PubChem (CID 129336915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).