N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide

C25H23N3O2 — CID 1261631

IUPACN-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccn3)nc3c(C)cc(C)cc23)c(C)c1
InChIInChI=1S/C25H23N3O2/c1-15-11-17(3)24-19(12-15)20(14-23(27-24)22-7-5-6-10-26-22)25(29)28-21-9-8-18(30-4)13-16(21)2/h5-14H,1-4H3,(H,28,29)
InChIKeyWFZWTKAPRYVWCF-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.48
Rot. Bonds4

About N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide

N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 1261631) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID1261631
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccn3)nc3c(C)cc(C)cc23)c(C)c1
InChIInChI=1S/C25H23N3O2/c1-15-11-17(3)24-19(12-15)20(14-23(27-24)22-7-5-6-10-26-22)25(29)28-21-9-8-18(30-4)13-16(21)2/h5-14H,1-4H3,(H,28,29)
InChIKeyWFZWTKAPRYVWCF-UHFFFAOYSA-N
XLogP5.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 1261631) is N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccn3)nc3c(C)cc(C)cc23)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is WFZWTKAPRYVWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-15-11-17(3)24-19(12-15)20(14-23(27-24)22-7-5-6-10-26-22)25(29)28-21-9-8-18(30-4)13-16(21)2/h5-14H,1-4H3,(H,28,29).
What are the key properties of N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide?
N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).