N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C29H21N3O3 — CID 2965581

IUPACN-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccc(C)cc13)oc1ccccc12
InChIInChI=1S/C29H21N3O3/c1-17-7-8-23-20(13-17)22(14-24(31-23)18-9-11-30-12-10-18)29(33)32-25-16-27-21(15-28(25)34-2)19-5-3-4-6-26(19)35-27/h3-16H,1-2H3,(H,32,33)
InChIKeyVOZGJWXWFGEVPS-UHFFFAOYSA-N
MW459.51 g/mol
LogP6.77
Rot. Bonds4

About N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2965581) has the molecular formula C29H21N3O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2965581
Molecular FormulaC29H21N3O3
Molecular Weight459.51 g/mol
Exact Mass459.16
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccc(C)cc13)oc1ccccc12
InChIInChI=1S/C29H21N3O3/c1-17-7-8-23-20(13-17)22(14-24(31-23)18-9-11-30-12-10-18)29(33)32-25-16-27-21(15-28(25)34-2)19-5-3-4-6-26(19)35-27/h3-16H,1-2H3,(H,32,33)
InChIKeyVOZGJWXWFGEVPS-UHFFFAOYSA-N
XLogP6.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 2965581) is N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is COc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccc(C)cc13)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is VOZGJWXWFGEVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O3/c1-17-7-8-23-20(13-17)22(14-24(31-23)18-9-11-30-12-10-18)29(33)32-25-16-27-21(15-28(25)34-2)19-5-3-4-6-26(19)35-27/h3-16H,1-2H3,(H,32,33).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2965581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).