[(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone

C24H24N4O3 — CID 127024658

IUPAC[(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESC[C@H]1CCc2cc(-c3ccc(NC4CC4)nn3)ccc2N1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C24H24N4O3/c1-14-2-3-16-12-15(20-9-11-23(27-26-20)25-17-5-6-17)4-10-21(16)28(14)24(31)19-8-7-18(29)13-22(19)30/h4,7-14,17,29-30H,2-3,5-6H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyWILCKYMTSIVKIZ-AWEZNQCLSA-N
MW416.48 g/mol
LogP4.11
Rot. Bonds4

About [(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone

[(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone (PubChem CID 127024658) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is [(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
PubChem CID127024658
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name[(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESC[C@H]1CCc2cc(-c3ccc(NC4CC4)nn3)ccc2N1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C24H24N4O3/c1-14-2-3-16-12-15(20-9-11-23(27-26-20)25-17-5-6-17)4-10-21(16)28(14)24(31)19-8-7-18(29)13-22(19)30/h4,7-14,17,29-30H,2-3,5-6H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyWILCKYMTSIVKIZ-AWEZNQCLSA-N
XLogP4.11
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of [(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone (CID 127024658) is [(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for [(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone is C[C@H]1CCc2cc(-c3ccc(NC4CC4)nn3)ccc2N1C(=O)c1ccc(O)cc1O.
What is the InChIKey of [(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The InChIKey is WILCKYMTSIVKIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-2-3-16-12-15(20-9-11-23(27-26-20)25-17-5-6-17)4-10-21(16)28(14)24(31)19-8-7-18(29)13-22(19)30/h4,7-14,17,29-30H,2-3,5-6H2,1H3,(H,25,27)/t14-/m0/s1.
What are the key properties of [(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
[(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone has a molecular weight of 416.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-[6-(cyclopropylamino)pyridazin-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 127024658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).