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

C22H16ClN3O2 — CID 2220468

IUPAC8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(Cl)cccc23)c1
InChIInChI=1S/C22H16ClN3O2/c1-28-16-7-2-6-15(11-16)25-22(27)18-12-20(14-5-4-10-24-13-14)26-21-17(18)8-3-9-19(21)23/h2-13H,1H3,(H,25,27)
InChIKeyLYKLHMXUKPRJOA-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.21
Rot. Bonds4

About 8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide

8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2220468) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2220468
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(Cl)cccc23)c1
InChIInChI=1S/C22H16ClN3O2/c1-28-16-7-2-6-15(11-16)25-22(27)18-12-20(14-5-4-10-24-13-14)26-21-17(18)8-3-9-19(21)23/h2-13H,1H3,(H,25,27)
InChIKeyLYKLHMXUKPRJOA-UHFFFAOYSA-N
XLogP5.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 2220468) is 8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide is COc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(Cl)cccc23)c1.
What is the InChIKey of 8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is LYKLHMXUKPRJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-28-16-7-2-6-15(11-16)25-22(27)18-12-20(14-5-4-10-24-13-14)26-21-17(18)8-3-9-19(21)23/h2-13H,1H3,(H,25,27).
What are the key properties of 8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide?
8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(3-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).