2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide

C20H18Cl2N2O2 — CID 19592302

IUPAC2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide
SMILESCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CCO
InChIInChI=1S/C20H18Cl2N2O2/c1-2-12-11-23-19-14(13(12)9-10-25)5-3-8-17(19)24-20(26)18-15(21)6-4-7-16(18)22/h3-8,11,25H,2,9-10H2,1H3,(H,24,26)
InChIKeyQQPKGNVZFIUBPO-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.89
Rot. Bonds5

About 2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide

2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide (PubChem CID 19592302) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide
PubChem CID19592302
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide
SMILESCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CCO
InChIInChI=1S/C20H18Cl2N2O2/c1-2-12-11-23-19-14(13(12)9-10-25)5-3-8-17(19)24-20(26)18-15(21)6-4-7-16(18)22/h3-8,11,25H,2,9-10H2,1H3,(H,24,26)
InChIKeyQQPKGNVZFIUBPO-UHFFFAOYSA-N
XLogP4.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide (CID 19592302) is 2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide is CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CCO.
What is the InChIKey of 2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide?
The InChIKey is QQPKGNVZFIUBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-2-12-11-23-19-14(13(12)9-10-25)5-3-8-17(19)24-20(26)18-15(21)6-4-7-16(18)22/h3-8,11,25H,2,9-10H2,1H3,(H,24,26).
What are the key properties of 2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide?
2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide has a molecular weight of 389.28 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-ethyl-4-(2-hydroxyethyl)quinolin-8-yl]benzamide is sourced from PubChem (CID 19592302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).