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

C28H19N3O3 — CID 2098333

IUPACN-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc13)oc1ccccc12
InChIInChI=1S/C28H19N3O3/c1-33-27-15-20-19-7-3-5-9-25(19)34-26(20)16-24(27)31-28(32)21-14-23(17-10-12-29-13-11-17)30-22-8-4-2-6-18(21)22/h2-16H,1H3,(H,31,32)
InChIKeyLDKAMSSVHFWIMX-UHFFFAOYSA-N
MW445.48 g/mol
LogP6.46
Rot. Bonds4

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

N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2098333) has the molecular formula C28H19N3O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2098333
Molecular FormulaC28H19N3O3
Molecular Weight445.48 g/mol
Exact Mass445.14
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc13)oc1ccccc12
InChIInChI=1S/C28H19N3O3/c1-33-27-15-20-19-7-3-5-9-25(19)34-26(20)16-24(27)31-28(32)21-14-23(17-10-12-29-13-11-17)30-22-8-4-2-6-18(21)22/h2-16H,1H3,(H,31,32)
InChIKeyLDKAMSSVHFWIMX-UHFFFAOYSA-N
XLogP6.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 56.46
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)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 2098333) is N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide is COc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc13)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is LDKAMSSVHFWIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O3/c1-33-27-15-20-19-7-3-5-9-25(19)34-26(20)16-24(27)31-28(32)21-14-23(17-10-12-29-13-11-17)30-22-8-4-2-6-18(21)22/h2-16H,1H3,(H,31,32).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 6.46, 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)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2098333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).