N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide

C24H21N3O3 — CID 1261752

IUPACN-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1OC
InChIInChI=1S/C24H21N3O3/c1-15-6-8-20-18(11-15)19(13-21(27-20)16-5-4-10-25-14-16)24(28)26-17-7-9-22(29-2)23(12-17)30-3/h4-14H,1-3H3,(H,26,28)
InChIKeyHZVUZKPJBLNIDJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.87
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide

N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 1261752) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID1261752
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1OC
InChIInChI=1S/C24H21N3O3/c1-15-6-8-20-18(11-15)19(13-21(27-20)16-5-4-10-25-14-16)24(28)26-17-7-9-22(29-2)23(12-17)30-3/h4-14H,1-3H3,(H,26,28)
InChIKeyHZVUZKPJBLNIDJ-UHFFFAOYSA-N
XLogP4.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 1261752) is N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is HZVUZKPJBLNIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15-6-8-20-18(11-15)19(13-21(27-20)16-5-4-10-25-14-16)24(28)26-17-7-9-22(29-2)23(12-17)30-3/h4-14H,1-3H3,(H,26,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).