N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide

C25H23N3O3 — CID 1257113

IUPACN-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)c(OC)c1
InChIInChI=1S/C25H23N3O3/c1-15-7-9-19-20(25(29)28-21-10-8-18(30-3)12-23(21)31-4)13-22(27-24(19)16(15)2)17-6-5-11-26-14-17/h5-14H,1-4H3,(H,28,29)
InChIKeyPIJQYINBGWXRMC-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.18
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide

N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 1257113) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID1257113
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)c(OC)c1
InChIInChI=1S/C25H23N3O3/c1-15-7-9-19-20(25(29)28-21-10-8-18(30-3)12-23(21)31-4)13-22(27-24(19)16(15)2)17-6-5-11-26-14-17/h5-14H,1-4H3,(H,28,29)
InChIKeyPIJQYINBGWXRMC-UHFFFAOYSA-N
XLogP5.18
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 1257113) is N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is PIJQYINBGWXRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-15-7-9-19-20(25(29)28-21-10-8-18(30-3)12-23(21)31-4)13-22(27-24(19)16(15)2)17-6-5-11-26-14-17/h5-14H,1-4H3,(H,28,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide?
N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1257113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).