N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

C22H17N3O2 — CID 2387516

IUPACN-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C22H17N3O2/c1-27-16-8-6-7-15(13-16)24-22(26)18-14-21(20-11-4-5-12-23-20)25-19-10-3-2-9-17(18)19/h2-14H,1H3,(H,24,26)
InChIKeyCGODTZXADLBBLC-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.56
Rot. Bonds4

About N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2387516) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2387516
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C22H17N3O2/c1-27-16-8-6-7-15(13-16)24-22(26)18-14-21(20-11-4-5-12-23-20)25-19-10-3-2-9-17(18)19/h2-14H,1H3,(H,24,26)
InChIKeyCGODTZXADLBBLC-UHFFFAOYSA-N
XLogP4.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 2387516) is N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is COc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is CGODTZXADLBBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-16-8-6-7-15(13-16)24-22(26)18-14-21(20-11-4-5-12-23-20)25-19-10-3-2-9-17(18)19/h2-14H,1H3,(H,24,26).
What are the key properties of N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2387516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).