6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol

C18H20N2O4 — CID 101435358

IUPAC6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol
SMILESCOc1ccc2c(c1)C(O)C(C)(C)C(c1ccc([N+](=O)[O-])cc1)N2
InChIInChI=1S/C18H20N2O4/c1-18(2)16(11-4-6-12(7-5-11)20(22)23)19-15-9-8-13(24-3)10-14(15)17(18)21/h4-10,16-17,19,21H,1-3H3
InChIKeyRAKFAIYRXUQBAW-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.83
Rot. Bonds3

About 6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol

6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol (PubChem CID 101435358) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol
PubChem CID101435358
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol
SMILESCOc1ccc2c(c1)C(O)C(C)(C)C(c1ccc([N+](=O)[O-])cc1)N2
InChIInChI=1S/C18H20N2O4/c1-18(2)16(11-4-6-12(7-5-11)20(22)23)19-15-9-8-13(24-3)10-14(15)17(18)21/h4-10,16-17,19,21H,1-3H3
InChIKeyRAKFAIYRXUQBAW-UHFFFAOYSA-N
XLogP3.83
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-chloro-3-nitrophenyl)-4-hydroxy-3,3-dimethyl-2,4-dihydro-1H-quinolin-6-yl] acetate
CID 174670277
[(2S,4S)-2-(4-fluorophenyl)-6-methoxy-3,3-dimethyl-2,4-dihydro-1H-quinolin-4-yl] acetate
CID 787374
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369623
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011773
(2S)-2-(4-methoxyphenyl)-6,6-dimethyl-1-(4-nitrophenyl)-5,7-dioxaspiro[2.5]octane-4,8-dione
CID 134832293
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
[4-hydroxy-6-(4-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-(4-methoxyphenyl)methanone
CID 162537993
(3aS,4R,9bS)-4-(2-chloro-5-nitrophenyl)-8-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6969686
(3aR,4R,9bR)-4-(2-chloro-5-nitrophenyl)-8-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7433691

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol?
The IUPAC name of 6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol (CID 101435358) is 6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol?
The canonical SMILES for 6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol is COc1ccc2c(c1)C(O)C(C)(C)C(c1ccc([N+](=O)[O-])cc1)N2.
What is the InChIKey of 6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol?
The InChIKey is RAKFAIYRXUQBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-18(2)16(11-4-6-12(7-5-11)20(22)23)19-15-9-8-13(24-3)10-14(15)17(18)21/h4-10,16-17,19,21H,1-3H3.
What are the key properties of 6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol?
6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol has a molecular weight of 328.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethyl-2-(4-nitrophenyl)-2,4-dihydro-1H-quinolin-4-ol is sourced from PubChem (CID 101435358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).