methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate

C29H20N2O2 — CID 162718597

IUPACmethyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc2ccccc12
InChIInChI=1S/C29H20N2O2/c1-33-29(32)24-18-26(30-25-11-5-2-8-21(24)25)19-14-16-20(17-15-19)31-27-12-6-3-9-22(27)23-10-4-7-13-28(23)31/h2-18H,1H3
InChIKeyOPGWYYMULHNDLH-UHFFFAOYSA-N
MW428.49 g/mol
LogP6.79
Rot. Bonds3

About methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate

methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate (PubChem CID 162718597) has the molecular formula C29H20N2O2 and a molecular weight of 428.49 g/mol. Its IUPAC name is methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate
PubChem CID162718597
Molecular FormulaC29H20N2O2
Molecular Weight428.49 g/mol
Exact Mass428.15
IUPAC Namemethyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc2ccccc12
InChIInChI=1S/C29H20N2O2/c1-33-29(32)24-18-26(30-25-11-5-2-8-21(24)25)19-14-16-20(17-15-19)31-27-12-6-3-9-22(27)23-10-4-7-13-28(23)31/h2-18H,1H3
InChIKeyOPGWYYMULHNDLH-UHFFFAOYSA-N
XLogP6.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate?
The IUPAC name of methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate (CID 162718597) is methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc2ccccc12.
What is the InChIKey of methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate?
The InChIKey is OPGWYYMULHNDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O2/c1-33-29(32)24-18-26(30-25-11-5-2-8-21(24)25)19-14-16-20(17-15-19)31-27-12-6-3-9-22(27)23-10-4-7-13-28(23)31/h2-18H,1H3.
What are the key properties of methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate?
methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-carbazol-9-ylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 162718597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).