(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone

C18H20N2O2 — CID 43823652

IUPAC(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCc3cc(N)ccc32)ccc1C
InChIInChI=1S/C18H20N2O2/c1-12-5-6-14(11-17(12)22-2)18(21)20-9-3-4-13-10-15(19)7-8-16(13)20/h5-8,10-11H,3-4,9,19H2,1-2H3
InChIKeyWIUIZSMMHBETEV-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.18
Rot. Bonds2

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

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone (PubChem CID 43823652) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone
PubChem CID43823652
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCc3cc(N)ccc32)ccc1C
InChIInChI=1S/C18H20N2O2/c1-12-5-6-14(11-17(12)22-2)18(21)20-9-3-4-13-10-15(19)7-8-16(13)20/h5-8,10-11H,3-4,9,19H2,1-2H3
InChIKeyWIUIZSMMHBETEV-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

3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24696393
(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107670570
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 55916686
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79976034
2-methoxy-5-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylbenzenesulfonamide
CID 34363466
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809490

Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone (CID 43823652) is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCCc3cc(N)ccc32)ccc1C.
What is the InChIKey of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is WIUIZSMMHBETEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-5-6-14(11-17(12)22-2)18(21)20-9-3-4-13-10-15(19)7-8-16(13)20/h5-8,10-11H,3-4,9,19H2,1-2H3.
What are the key properties of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone?
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)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 (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 43823652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).