2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid

C35H27N3O3 — CID 19935699

IUPAC2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid
SMILESCC(C(=O)O)c1ccc2c3cc(OCc4ccc5ccccc5n4)ccc3n(Cc3ccc4ccccc4n3)c2c1
InChIInChI=1S/C35H27N3O3/c1-22(35(39)40)25-12-16-29-30-19-28(41-21-27-14-11-24-7-3-5-9-32(24)37-27)15-17-33(30)38(34(29)18-25)20-26-13-10-23-6-2-4-8-31(23)36-26/h2-19,22H,20-21H2,1H3,(H,39,40)
InChIKeyVAPHVOKMQSQXEN-UHFFFAOYSA-N
MW537.62 g/mol
LogP7.71
Rot. Bonds7

About 2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid

2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid (PubChem CID 19935699) has the molecular formula C35H27N3O3 and a molecular weight of 537.62 g/mol. Its IUPAC name is 2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid
PubChem CID19935699
Molecular FormulaC35H27N3O3
Molecular Weight537.62 g/mol
Exact Mass537.21
IUPAC Name2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid
SMILESCC(C(=O)O)c1ccc2c3cc(OCc4ccc5ccccc5n4)ccc3n(Cc3ccc4ccccc4n3)c2c1
InChIInChI=1S/C35H27N3O3/c1-22(35(39)40)25-12-16-29-30-19-28(41-21-27-14-11-24-7-3-5-9-32(24)37-27)15-17-33(30)38(34(29)18-25)20-26-13-10-23-6-2-4-8-31(23)36-26/h2-19,22H,20-21H2,1H3,(H,39,40)
InChIKeyVAPHVOKMQSQXEN-UHFFFAOYSA-N
XLogP7.71
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid?
The IUPAC name of 2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid (CID 19935699) is 2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid.
What is the SMILES notation for 2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid?
The canonical SMILES for 2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid is CC(C(=O)O)c1ccc2c3cc(OCc4ccc5ccccc5n4)ccc3n(Cc3ccc4ccccc4n3)c2c1.
What is the InChIKey of 2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid?
The InChIKey is VAPHVOKMQSQXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3O3/c1-22(35(39)40)25-12-16-29-30-19-28(41-21-27-14-11-24-7-3-5-9-32(24)37-27)15-17-33(30)38(34(29)18-25)20-26-13-10-23-6-2-4-8-31(23)36-26/h2-19,22H,20-21H2,1H3,(H,39,40).
What are the key properties of 2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid?
2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid has a molecular weight of 537.62 g/mol, XLogP of 7.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(quinolin-2-ylmethoxy)-9-(quinolin-2-ylmethyl)carbazol-2-yl]propanoic acid is sourced from PubChem (CID 19935699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).