N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide

C24H21N3O2 — CID 2220917

IUPACN-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)c1
InChIInChI=1S/C24H21N3O2/c1-15-11-16(2)23-20(12-15)21(14-22(27-23)17-7-9-25-10-8-17)24(28)26-18-5-4-6-19(13-18)29-3/h4-14H,1-3H3,(H,26,28)
InChIKeyZWNLYEVYCOXHJQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.17
Rot. Bonds4

About N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide

N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2220917) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2220917
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)c1
InChIInChI=1S/C24H21N3O2/c1-15-11-16(2)23-20(12-15)21(14-22(27-23)17-7-9-25-10-8-17)24(28)26-18-5-4-6-19(13-18)29-3/h4-14H,1-3H3,(H,26,28)
InChIKeyZWNLYEVYCOXHJQ-UHFFFAOYSA-N
XLogP5.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 2220917) is N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide is COc1cccc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is ZWNLYEVYCOXHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15-11-16(2)23-20(12-15)21(14-22(27-23)17-7-9-25-10-8-17)24(28)26-18-5-4-6-19(13-18)29-3/h4-14H,1-3H3,(H,26,28).
What are the key properties of N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).