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

C22H21N3O3 — CID 127024387

IUPAC(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1ccnnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C22H21N3O3/c1-13-9-10-23-24-21(13)16-5-8-19-15(11-16)4-3-14(2)25(19)22(28)18-7-6-17(26)12-20(18)27/h5-12,14,26-27H,3-4H2,1-2H3/t14-/m0/s1
InChIKeyLRFWDRILVLEZJM-AWEZNQCLSA-N
MW375.43 g/mol
LogP3.84
Rot. Bonds2

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

(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 127024387) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID127024387
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1ccnnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C22H21N3O3/c1-13-9-10-23-24-21(13)16-5-8-19-15(11-16)4-3-14(2)25(19)22(28)18-7-6-17(26)12-20(18)27/h5-12,14,26-27H,3-4H2,1-2H3/t14-/m0/s1
InChIKeyLRFWDRILVLEZJM-AWEZNQCLSA-N
XLogP3.84
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 127024387) is (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is Cc1ccnnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O.
What is the InChIKey of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is LRFWDRILVLEZJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-9-10-23-24-21(13)16-5-8-19-15(11-16)4-3-14(2)25(19)22(28)18-7-6-17(26)12-20(18)27/h5-12,14,26-27H,3-4H2,1-2H3/t14-/m0/s1.
What are the key properties of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 375.43 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 127024387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).