(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

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Related Compounds

(2,4-dihydroxyphenyl)-[(2S)-6-(3,6-dimethylpyrazin-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024477
(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024091
(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024409
N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide
CID 127024739
4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide
CID 127024609
(2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 123280304
1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 144809290
N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 127024769
[6-(6-amino-2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 123967729
(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024642
1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylquinolin-1-ium-5-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 123674316
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090

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).