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

C22H17N3O2 — CID 1359156

IUPAC2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1
InChIInChI=1S/C22H17N3O2/c1-27-17-6-4-5-15(13-17)21-14-19(18-7-2-3-8-20(18)25-21)22(26)24-16-9-11-23-12-10-16/h2-14H,1H3,(H,23,24,26)
InChIKeyVTTMFFLLGJVLRW-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.56
Rot. Bonds4

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

2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 1359156) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
PubChem CID1359156
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1
InChIInChI=1S/C22H17N3O2/c1-27-17-6-4-5-15(13-17)21-14-19(18-7-2-3-8-20(18)25-21)22(26)24-16-9-11-23-12-10-16/h2-14H,1H3,(H,23,24,26)
InChIKeyVTTMFFLLGJVLRW-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 2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (CID 1359156) is 2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is VTTMFFLLGJVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-17-6-4-5-15(13-17)21-14-19(18-7-2-3-8-20(18)25-21)22(26)24-16-9-11-23-12-10-16/h2-14H,1H3,(H,23,24,26).
What are the key properties of 2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
2-(3-methoxyphenyl)-N-pyridin-4-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 2-(3-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 1359156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).