1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

C23H27NO2 — CID 167023626

IUPAC1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CC(c1ccccc1)CN2C1CCCCCC1
InChIInChI=1S/C23H27NO2/c25-23(26)20-13-8-14-22-21(20)15-18(17-9-4-3-5-10-17)16-24(22)19-11-6-1-2-7-12-19/h3-5,8-10,13-14,18-19H,1-2,6-7,11-12,15-16H2,(H,25,26)
InChIKeyYSQXGAWVOUWMEU-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.25
Rot. Bonds3

About 1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 167023626) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID167023626
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CC(c1ccccc1)CN2C1CCCCCC1
InChIInChI=1S/C23H27NO2/c25-23(26)20-13-8-14-22-21(20)15-18(17-9-4-3-5-10-17)16-24(22)19-11-6-1-2-7-12-19/h3-5,8-10,13-14,18-19H,1-2,6-7,11-12,15-16H2,(H,25,26)
InChIKeyYSQXGAWVOUWMEU-UHFFFAOYSA-N
XLogP5.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 167023626) is 1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CC(c1ccccc1)CN2C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is YSQXGAWVOUWMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c25-23(26)20-13-8-14-22-21(20)15-18(17-9-4-3-5-10-17)16-24(22)19-11-6-1-2-7-12-19/h3-5,8-10,13-14,18-19H,1-2,6-7,11-12,15-16H2,(H,25,26).
What are the key properties of 1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 349.47 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-phenyl-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 167023626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).