4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide

C20H18N4O3S — CID 175506682

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C20H18N4O3S/c25-20(22-19-8-3-13-21-23-19)16-9-11-17(12-10-16)28(26,27)24-14-4-6-15-5-1-2-7-18(15)24/h1-3,5,7-13H,4,6,14H2,(H,22,23,25)
InChIKeyPVJIWESJKYTAEM-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.87
Rot. Bonds4

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide (PubChem CID 175506682) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide
PubChem CID175506682
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C20H18N4O3S/c25-20(22-19-8-3-13-21-23-19)16-9-11-17(12-10-16)28(26,27)24-14-4-6-15-5-1-2-7-18(15)24/h1-3,5,7-13H,4,6,14H2,(H,22,23,25)
InChIKeyPVJIWESJKYTAEM-UHFFFAOYSA-N
XLogP2.87
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557757
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30267246
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 24980754
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 2159031
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 3593593
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide (CID 175506682) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide is O=C(Nc1cccnn1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide?
The InChIKey is PVJIWESJKYTAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c25-20(22-19-8-3-13-21-23-19)16-9-11-17(12-10-16)28(26,27)24-14-4-6-15-5-1-2-7-18(15)24/h1-3,5,7-13H,4,6,14H2,(H,22,23,25).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide has a molecular weight of 394.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 175506682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).