4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid

C20H18N2O2 — CID 7138050

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid
SMILESCc1cc(N2CCc3ccccc3C2)c2ccc(C(=O)O)cc2n1
InChIInChI=1S/C20H18N2O2/c1-13-10-19(17-7-6-15(20(23)24)11-18(17)21-13)22-9-8-14-4-2-3-5-16(14)12-22/h2-7,10-11H,8-9,12H2,1H3,(H,23,24)
InChIKeyZAFAVDAXVKAGPV-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.80
Rot. Bonds2

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid (PubChem CID 7138050) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid
PubChem CID7138050
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid
SMILESCc1cc(N2CCc3ccccc3C2)c2ccc(C(=O)O)cc2n1
InChIInChI=1S/C20H18N2O2/c1-13-10-19(17-7-6-15(20(23)24)11-18(17)21-13)22-9-8-14-4-2-3-5-16(14)12-22/h2-7,10-11H,8-9,12H2,1H3,(H,23,24)
InChIKeyZAFAVDAXVKAGPV-UHFFFAOYSA-N
XLogP3.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid (CID 7138050) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid is Cc1cc(N2CCc3ccccc3C2)c2ccc(C(=O)O)cc2n1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid?
The InChIKey is ZAFAVDAXVKAGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13-10-19(17-7-6-15(20(23)24)11-18(17)21-13)22-9-8-14-4-2-3-5-16(14)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)-2-methylquinoline-7-carboxylic acid?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid is sourced from PubChem (CID 7138050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).