(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H20N2O2 — CID 24696393

IUPAC(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCc3cc(C)ccc32)cc1N
InChIInChI=1S/C18H20N2O2/c1-12-5-7-16-13(10-12)4-3-9-20(16)18(21)14-6-8-17(22-2)15(19)11-14/h5-8,10-11H,3-4,9,19H2,1-2H3
InChIKeyMHBXYQIDTTZDBN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.18
Rot. Bonds2

About (3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 24696393) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID24696393
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCc3cc(C)ccc32)cc1N
InChIInChI=1S/C18H20N2O2/c1-12-5-7-16-13(10-12)4-3-9-20(16)18(21)14-6-8-17(22-2)15(19)11-14/h5-8,10-11H,3-4,9,19H2,1-2H3
InChIKeyMHBXYQIDTTZDBN-UHFFFAOYSA-N
XLogP3.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 43823652
(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
(2-amino-4-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62153420
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
2-(4-acetyl-2-methoxyphenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26083759
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 24696393) is (3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc(C(=O)N2CCCc3cc(C)ccc32)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is MHBXYQIDTTZDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-5-7-16-13(10-12)4-3-9-20(16)18(21)14-6-8-17(22-2)15(19)11-14/h5-8,10-11H,3-4,9,19H2,1-2H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 24696393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).