(3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone

C18H21FN4O3 — CID 139315267

IUPAC(3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone
SMILESCC1(C(=O)n2nc3c(c2N)C(O)C(O)CC3)CCNc2ccc(F)cc21
InChIInChI=1S/C18H21FN4O3/c1-18(6-7-21-11-3-2-9(19)8-10(11)18)17(26)23-16(20)14-12(22-23)4-5-13(24)15(14)25/h2-3,8,13,15,21,24-25H,4-7,20H2,1H3
InChIKeyTWNXJDHLYZARPW-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.36
Rot. Bonds1

About (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone

(3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone (PubChem CID 139315267) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone
PubChem CID139315267
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name(3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone
SMILESCC1(C(=O)n2nc3c(c2N)C(O)C(O)CC3)CCNc2ccc(F)cc21
InChIInChI=1S/C18H21FN4O3/c1-18(6-7-21-11-3-2-9(19)8-10(11)18)17(26)23-16(20)14-12(22-23)4-5-13(24)15(14)25/h2-3,8,13,15,21,24-25H,4-7,20H2,1H3
InChIKeyTWNXJDHLYZARPW-UHFFFAOYSA-N
XLogP1.36
TPSA113.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol
CID 145408187
[(5R)-3-amino-5-methoxy-4,5,6,7-tetrahydroindazol-2-yl]-[(4S)-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]methanone;bis([(5R)-3-amino-5-methoxy-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone);methane
CID 157370603
(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 146712742
6-fluorospiro[2,3-dihydro-1H-quinoline-4,2'-cyclopropane]-1'-amine
CID 105446089
(3-amino-6-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 147174400
(3-amino-6-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 147872166
(3-amino-5,5-difluoro-1-methyl-4,6,7,7a-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 162606777
tert-butyl 1-(2-amino-5-fluorophenyl)cyclopropane-1-carboxylate
CID 177077160
[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane
CID 157348334
spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxamide
CID 123510278
(3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155316127
(3-amino-6-propan-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 147732137

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone?
The IUPAC name of (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone (CID 139315267) is (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone.
What is the SMILES notation for (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone?
The canonical SMILES for (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone is CC1(C(=O)n2nc3c(c2N)C(O)C(O)CC3)CCNc2ccc(F)cc21.
What is the InChIKey of (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone?
The InChIKey is TWNXJDHLYZARPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-18(6-7-21-11-3-2-9(19)8-10(11)18)17(26)23-16(20)14-12(22-23)4-5-13(24)15(14)25/h2-3,8,13,15,21,24-25H,4-7,20H2,1H3.
What are the key properties of (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone?
(3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone has a molecular weight of 360.39 g/mol, XLogP of 1.36, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5-dihydroxy-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-4-methyl-2,3-dihydro-1H-quinolin-4-yl)methanone is sourced from PubChem (CID 139315267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).