(8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C20H20N4O2 — CID 100665801

IUPAC(8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C1CCC(c2ccc(NC(=O)[C@H]3CCCc4cccnc43)cc2)=NN1
InChIInChI=1S/C20H20N4O2/c25-18-11-10-17(23-24-18)13-6-8-15(9-7-13)22-20(26)16-5-1-3-14-4-2-12-21-19(14)16/h2,4,6-9,12,16H,1,3,5,10-11H2,(H,22,26)(H,24,25)/t16-/m0/s1
InChIKeySISKOVZXPITBMJ-INIZCTEOSA-N
MW348.41 g/mol
LogP2.75
Rot. Bonds3

About (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

(8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 100665801) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name(8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID100665801
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C1CCC(c2ccc(NC(=O)[C@H]3CCCc4cccnc43)cc2)=NN1
InChIInChI=1S/C20H20N4O2/c25-18-11-10-17(23-24-18)13-6-8-15(9-7-13)22-20(26)16-5-1-3-14-4-2-12-21-19(14)16/h2,4,6-9,12,16H,1,3,5,10-11H2,(H,22,26)(H,24,25)/t16-/m0/s1
InChIKeySISKOVZXPITBMJ-INIZCTEOSA-N
XLogP2.75
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154754689
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 18319843
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154862038
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 126768498
pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116568328
4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide
CID 127412838
(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100659560
N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 102559060
N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154754726
(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124851984
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 100665801) is (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is O=C1CCC(c2ccc(NC(=O)[C@H]3CCCc4cccnc43)cc2)=NN1.
What is the InChIKey of (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is SISKOVZXPITBMJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18-11-10-17(23-24-18)13-6-8-15(9-7-13)22-20(26)16-5-1-3-14-4-2-12-21-19(14)16/h2,4,6-9,12,16H,1,3,5,10-11H2,(H,22,26)(H,24,25)/t16-/m0/s1.
What are the key properties of (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
(8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 100665801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).