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

C26H23N3O3 — CID 127024091

IUPAC(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1nc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c2ccccc2n1
InChIInChI=1S/C26H23N3O3/c1-15-7-8-17-13-18(25-20-5-3-4-6-22(20)27-16(2)28-25)9-12-23(17)29(15)26(32)21-11-10-19(30)14-24(21)31/h3-6,9-15,30-31H,7-8H2,1-2H3/t15-/m0/s1
InChIKeyBYSDPXBOYDDWFZ-HNNXBMFYSA-N
MW425.49 g/mol
LogP5.00
Rot. Bonds2

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

(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 127024091) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID127024091
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1nc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c2ccccc2n1
InChIInChI=1S/C26H23N3O3/c1-15-7-8-17-13-18(25-20-5-3-4-6-22(20)27-16(2)28-25)9-12-23(17)29(15)26(32)21-11-10-19(30)14-24(21)31/h3-6,9-15,30-31H,7-8H2,1-2H3/t15-/m0/s1
InChIKeyBYSDPXBOYDDWFZ-HNNXBMFYSA-N
XLogP5.00
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]quinazoline-2-carboxamide
CID 127024609
(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-[4-(methylamino)phthalazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024409
(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-(4-methylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024387
N-[5-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-pyridinyl]acetamide
CID 127024739
1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 144809290
(2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 123280304
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone
CID 4079910
N-[1-(1-benzofuran-2-yl)ethyl]-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 127024769
1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-[(1-methylquinolin-1-ium-5-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 123674316
(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024642
(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 27307310

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 127024091) is (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is Cc1nc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c2ccccc2n1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is BYSDPXBOYDDWFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-15-7-8-17-13-18(25-20-5-3-4-6-22(20)27-16(2)28-25)9-12-23(17)29(15)26(32)21-11-10-19(30)14-24(21)31/h3-6,9-15,30-31H,7-8H2,1-2H3/t15-/m0/s1.
What are the key properties of (2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 425.49 g/mol, XLogP of 5.00, 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-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 127024091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).