(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol

C18H24N4O3S — CID 165026799

IUPAC(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol
SMILESCS(=O)(=O)N1CCC(C(O)n2nc(N)c3c2CCCC3)c2ccccc21
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)21-11-10-13(12-6-2-4-8-15(12)21)18(23)22-16-9-5-3-7-14(16)17(19)20-22/h2,4,6,8,13,18,23H,3,5,7,9-11H2,1H3,(H2,19,20)
InChIKeyMACVMXCKOHSMEO-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.79
Rot. Bonds3

About (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol (PubChem CID 165026799) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol.

Molecular Properties

Compound Name(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol
PubChem CID165026799
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol
SMILESCS(=O)(=O)N1CCC(C(O)n2nc(N)c3c2CCCC3)c2ccccc21
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)21-11-10-13(12-6-2-4-8-15(12)21)18(23)22-16-9-5-3-7-14(16)17(19)20-22/h2,4,6,8,13,18,23H,3,5,7,9-11H2,1H3,(H2,19,20)
InChIKeyMACVMXCKOHSMEO-UHFFFAOYSA-N
XLogP1.79
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol with MolForge

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Related Compounds

1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 83862378
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110603917
1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-4-amine
CID 110612322
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)cyclohexanecarboxamide
CID 110424130
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)cyclopropanecarboxamide
CID 110424127
1-tert-butyl-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110667441
1-methylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 166050469
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
4-amino-N-ethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 114803174
1-[4-(2-methylpropanoyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136551716
2-cyano-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide
CID 110424253
1-methylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
CID 8777525

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol?
The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol (CID 165026799) is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol.
What is the SMILES notation for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol?
The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol is CS(=O)(=O)N1CCC(C(O)n2nc(N)c3c2CCCC3)c2ccccc21.
What is the InChIKey of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol?
The InChIKey is MACVMXCKOHSMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-26(24,25)21-11-10-13(12-6-2-4-8-15(12)21)18(23)22-16-9-5-3-7-14(16)17(19)20-22/h2,4,6,8,13,18,23H,3,5,7,9-11H2,1H3,(H2,19,20).
What are the key properties of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol?
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol has a molecular weight of 376.48 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol is sourced from PubChem (CID 165026799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).