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

C17H18N2O2 — CID 81393898

IUPAC(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cccc(N)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-21-15-10-4-8-13(18)16(15)17(20)19-11-5-7-12-6-2-3-9-14(12)19/h2-4,6,8-10H,5,7,11,18H2,1H3
InChIKeyRZZJMPGKCWCNMY-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.87
Rot. Bonds2

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

(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 81393898) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID81393898
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cccc(N)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-21-15-10-4-8-13(18)16(15)17(20)19-11-5-7-12-6-2-3-9-14(12)19/h2-4,6,8-10H,5,7,11,18H2,1H3
InChIKeyRZZJMPGKCWCNMY-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.87
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-(2,6-dimethoxyphenyl)methanone
CID 5061013
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1183918
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
(4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65434753
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one
CID 3711758
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 81393898) is (2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is COc1cccc(N)c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is RZZJMPGKCWCNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-15-10-4-8-13(18)16(15)17(20)19-11-5-7-12-6-2-3-9-14(12)19/h2-4,6,8-10H,5,7,11,18H2,1H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 81393898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).