2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid

C18H17NO2 — CID 116533757

IUPAC2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
SMILESCC1Cc2cc(C(=O)O)c(C3CC3)nc2-c2ccccc21
InChIInChI=1S/C18H17NO2/c1-10-8-12-9-15(18(20)21)16(11-6-7-11)19-17(12)14-5-3-2-4-13(10)14/h2-5,9-11H,6-8H2,1H3,(H,20,21)
InChIKeyBDUAYESSQUFMJJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.98
Rot. Bonds2

About 2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid

2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid (PubChem CID 116533757) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
PubChem CID116533757
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
SMILESCC1Cc2cc(C(=O)O)c(C3CC3)nc2-c2ccccc21
InChIInChI=1S/C18H17NO2/c1-10-8-12-9-15(18(20)21)16(11-6-7-11)19-17(12)14-5-3-2-4-13(10)14/h2-5,9-11H,6-8H2,1H3,(H,20,21)
InChIKeyBDUAYESSQUFMJJ-UHFFFAOYSA-N
XLogP3.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid (CID 116533757) is 2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid is CC1Cc2cc(C(=O)O)c(C3CC3)nc2-c2ccccc21.
What is the InChIKey of 2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid?
The InChIKey is BDUAYESSQUFMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-10-8-12-9-15(18(20)21)16(11-6-7-11)19-17(12)14-5-3-2-4-13(10)14/h2-5,9-11H,6-8H2,1H3,(H,20,21).
What are the key properties of 2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid?
2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid is sourced from PubChem (CID 116533757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).