8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide

C23H18ClN3O2 — CID 1256999

IUPAC8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2c(Cl)cccc12
InChIInChI=1S/C23H18ClN3O2/c1-2-29-21-9-4-3-8-19(21)27-23(28)17-14-20(15-10-12-25-13-11-15)26-22-16(17)6-5-7-18(22)24/h3-14H,2H2,1H3,(H,27,28)
InChIKeyJPBZHPLPICMTTD-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.60
Rot. Bonds5

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

8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 1256999) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID1256999
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2c(Cl)cccc12
InChIInChI=1S/C23H18ClN3O2/c1-2-29-21-9-4-3-8-19(21)27-23(28)17-14-20(15-10-12-25-13-11-15)26-22-16(17)6-5-7-18(22)24/h3-14H,2H2,1H3,(H,27,28)
InChIKeyJPBZHPLPICMTTD-UHFFFAOYSA-N
XLogP5.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 1256999) is 8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is JPBZHPLPICMTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-2-29-21-9-4-3-8-19(21)27-23(28)17-14-20(15-10-12-25-13-11-15)26-22-16(17)6-5-7-18(22)24/h3-14H,2H2,1H3,(H,27,28).
What are the key properties of 8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-ethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 1256999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).