1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C19H20N6O3S — CID 25353001

IUPAC1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(-n4cnnn4)c3C)ccc21
InChIInChI=1S/C19H20N6O3S/c1-13-17(6-3-7-18(13)25-12-20-22-23-25)21-29(27,28)16-8-9-19-15(11-16)5-4-10-24(19)14(2)26/h3,6-9,11-12,21H,4-5,10H2,1-2H3
InChIKeyYZECLYYMIJAFMJ-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.07
Rot. Bonds4

About 1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 25353001) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID25353001
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(-n4cnnn4)c3C)ccc21
InChIInChI=1S/C19H20N6O3S/c1-13-17(6-3-7-18(13)25-12-20-22-23-25)21-29(27,28)16-8-9-19-15(11-16)5-4-10-24(19)14(2)26/h3,6-9,11-12,21H,4-5,10H2,1-2H3
InChIKeyYZECLYYMIJAFMJ-UHFFFAOYSA-N
XLogP2.07
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 55873057
1-acetyl-N-pyrimidin-5-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 154861806
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-(2,4-dimethyl-5-nitrophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 86910186
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35548958
1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60539648
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-acetyl-N-(1-tert-butylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 86858460
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 25353001) is 1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(-n4cnnn4)c3C)ccc21.
What is the InChIKey of 1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is YZECLYYMIJAFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-13-17(6-3-7-18(13)25-12-20-22-23-25)21-29(27,28)16-8-9-19-15(11-16)5-4-10-24(19)14(2)26/h3,6-9,11-12,21H,4-5,10H2,1-2H3.
What are the key properties of 1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 412.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 25353001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).