4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid

C20H18N2O3 — CID 7137791

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2ncc(C(=O)O)c(N3CCc4ccccc4C3)c2c1
InChIInChI=1S/C20H18N2O3/c1-25-15-6-7-18-16(10-15)19(17(11-21-18)20(23)24)22-9-8-13-4-2-3-5-14(13)12-22/h2-7,10-11H,8-9,12H2,1H3,(H,23,24)
InChIKeyJOIAWFFXNHECEJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.50
Rot. Bonds3

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid (PubChem CID 7137791) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid
PubChem CID7137791
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2ncc(C(=O)O)c(N3CCc4ccccc4C3)c2c1
InChIInChI=1S/C20H18N2O3/c1-25-15-6-7-18-16(10-15)19(17(11-21-18)20(23)24)22-9-8-13-4-2-3-5-14(13)12-22/h2-7,10-11H,8-9,12H2,1H3,(H,23,24)
InChIKeyJOIAWFFXNHECEJ-UHFFFAOYSA-N
XLogP3.50
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 142581319
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42669944
4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 18590638
ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
CID 133388687
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethoxyphenyl)acetic acid
CID 97188502
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109259793
5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 82487874
[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 20882559
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581331

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid (CID 7137791) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid is COc1ccc2ncc(C(=O)O)c(N3CCc4ccccc4C3)c2c1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid?
The InChIKey is JOIAWFFXNHECEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-25-15-6-7-18-16(10-15)19(17(11-21-18)20(23)24)22-9-8-13-4-2-3-5-14(13)12-22/h2-7,10-11H,8-9,12H2,1H3,(H,23,24).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 7137791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).