4-propan-2-yloxy-N-quinolin-8-ylbenzamide

C19H18N2O2 — CID 836753

IUPAC4-propan-2-yloxy-N-quinolin-8-ylbenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H18N2O2/c1-13(2)23-16-10-8-15(9-11-16)19(22)21-17-7-3-5-14-6-4-12-20-18(14)17/h3-13H,1-2H3,(H,21,22)
InChIKeyLCEUJENGMKMWJS-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.27
Rot. Bonds4

About 4-propan-2-yloxy-N-quinolin-8-ylbenzamide

4-propan-2-yloxy-N-quinolin-8-ylbenzamide (PubChem CID 836753) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-quinolin-8-ylbenzamide
PubChem CID836753
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-propan-2-yloxy-N-quinolin-8-ylbenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H18N2O2/c1-13(2)23-16-10-8-15(9-11-16)19(22)21-17-7-3-5-14-6-4-12-20-18(14)17/h3-13H,1-2H3,(H,21,22)
InChIKeyLCEUJENGMKMWJS-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-propan-2-yloxy-N-quinolin-8-ylbenzamide (CID 836753) is 4-propan-2-yloxy-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-propan-2-yloxy-N-quinolin-8-ylbenzamide is CC(C)Oc1ccc(C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-quinolin-8-ylbenzamide?
The InChIKey is LCEUJENGMKMWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(2)23-16-10-8-15(9-11-16)19(22)21-17-7-3-5-14-6-4-12-20-18(14)17/h3-13H,1-2H3,(H,21,22).
What are the key properties of 4-propan-2-yloxy-N-quinolin-8-ylbenzamide?
4-propan-2-yloxy-N-quinolin-8-ylbenzamide has a molecular weight of 306.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 836753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).