7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide

C28H21N3O2 — CID 164620499

IUPAC7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(-c4cccnc4)cc3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C28H21N3O2/c1-33-23-13-14-24-25(17-26(31-27(24)16-23)20-6-3-2-4-7-20)28(32)30-22-11-9-19(10-12-22)21-8-5-15-29-18-21/h2-18H,1H3,(H,30,32)
InChIKeyLSGOVJZJMGIEME-UHFFFAOYSA-N
MW431.50 g/mol
LogP6.22
Rot. Bonds5

About 7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide

7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide (PubChem CID 164620499) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide
PubChem CID164620499
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC Name7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(-c4cccnc4)cc3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C28H21N3O2/c1-33-23-13-14-24-25(17-26(31-27(24)16-23)20-6-3-2-4-7-20)28(32)30-22-11-9-19(10-12-22)21-8-5-15-29-18-21/h2-18H,1H3,(H,30,32)
InChIKeyLSGOVJZJMGIEME-UHFFFAOYSA-N
XLogP6.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide (CID 164620499) is 7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide is COc1ccc2c(C(=O)Nc3ccc(-c4cccnc4)cc3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide?
The InChIKey is LSGOVJZJMGIEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2/c1-33-23-13-14-24-25(17-26(31-27(24)16-23)20-6-3-2-4-7-20)28(32)30-22-11-9-19(10-12-22)21-8-5-15-29-18-21/h2-18H,1H3,(H,30,32).
What are the key properties of 7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide?
7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-phenyl-N-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 164620499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).