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

C17H18N2O2 — CID 28707170

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCc3ccc(N)cc32)c1
InChIInChI=1S/C17H18N2O2/c1-21-15-6-2-4-13(10-15)17(20)19-9-3-5-12-7-8-14(18)11-16(12)19/h2,4,6-8,10-11H,3,5,9,18H2,1H3
InChIKeyYVGJOSSNQXZPJR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.87
Rot. Bonds2

About (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 28707170) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
PubChem CID28707170
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCc3ccc(N)cc32)c1
InChIInChI=1S/C17H18N2O2/c1-21-15-6-2-4-13(10-15)17(20)19-9-3-5-12-7-8-14(18)11-16(12)19/h2,4,6-8,10-11H,3,5,9,18H2,1H3
InChIKeyYVGJOSSNQXZPJR-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-(3-methoxyphenyl)methanone
CID 755245
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone
CID 62266196
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid
CID 136552165
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone
CID 83210260
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 43823652
(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone
CID 28978839
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 62266720
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62265851

Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone (CID 28707170) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCCc3ccc(N)cc32)c1.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is YVGJOSSNQXZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-15-6-2-4-13(10-15)17(20)19-9-3-5-12-7-8-14(18)11-16(12)19/h2,4,6-8,10-11H,3,5,9,18H2,1H3.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)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 (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 28707170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).