2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid

C19H19NO4 — CID 136552165

IUPAC2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid
SMILESCOc1ccc2c(c1)N(C(=O)c1cccc(CC(=O)O)c1)CCC2
InChIInChI=1S/C19H19NO4/c1-24-16-8-7-14-6-3-9-20(17(14)12-16)19(23)15-5-2-4-13(10-15)11-18(21)22/h2,4-5,7-8,10,12H,3,6,9,11H2,1H3,(H,21,22)
InChIKeyJITRBWRVVQGQTC-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.92
Rot. Bonds4

About 2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid

2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid (PubChem CID 136552165) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid
PubChem CID136552165
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid
SMILESCOc1ccc2c(c1)N(C(=O)c1cccc(CC(=O)O)c1)CCC2
InChIInChI=1S/C19H19NO4/c1-24-16-8-7-14-6-3-9-20(17(14)12-16)19(23)15-5-2-4-13(10-15)11-18(21)22/h2,4-5,7-8,10,12H,3,6,9,11H2,1H3,(H,21,22)
InChIKeyJITRBWRVVQGQTC-UHFFFAOYSA-N
XLogP2.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide
CID 43990206
(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
[2-formyl-4-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]boronic acid
CID 166432580
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110749680
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 27537491
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid (CID 136552165) is 2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid is COc1ccc2c(c1)N(C(=O)c1cccc(CC(=O)O)c1)CCC2.
What is the InChIKey of 2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid?
The InChIKey is JITRBWRVVQGQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-24-16-8-7-14-6-3-9-20(17(14)12-16)19(23)15-5-2-4-13(10-15)11-18(21)22/h2,4-5,7-8,10,12H,3,6,9,11H2,1H3,(H,21,22).
What are the key properties of 2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid?
2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid has a molecular weight of 325.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid is sourced from PubChem (CID 136552165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).