4-propyl-N-quinolin-3-ylbenzamide

C19H18N2O — CID 4298023

IUPAC4-propyl-N-quinolin-3-ylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C19H18N2O/c1-2-5-14-8-10-15(11-9-14)19(22)21-17-12-16-6-3-4-7-18(16)20-13-17/h3-4,6-13H,2,5H2,1H3,(H,21,22)
InChIKeyACMQNRGXOSFSMZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.44
Rot. Bonds4

About 4-propyl-N-quinolin-3-ylbenzamide

4-propyl-N-quinolin-3-ylbenzamide (PubChem CID 4298023) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-propyl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-propyl-N-quinolin-3-ylbenzamide
PubChem CID4298023
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-propyl-N-quinolin-3-ylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C19H18N2O/c1-2-5-14-8-10-15(11-9-14)19(22)21-17-12-16-6-3-4-7-18(16)20-13-17/h3-4,6-13H,2,5H2,1H3,(H,21,22)
InChIKeyACMQNRGXOSFSMZ-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-propyl-N-quinolin-3-ylbenzamide (CID 4298023) is 4-propyl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-propyl-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-propyl-N-quinolin-3-ylbenzamide is CCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-propyl-N-quinolin-3-ylbenzamide?
The InChIKey is ACMQNRGXOSFSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-5-14-8-10-15(11-9-14)19(22)21-17-12-16-6-3-4-7-18(16)20-13-17/h3-4,6-13H,2,5H2,1H3,(H,21,22).
What are the key properties of 4-propyl-N-quinolin-3-ylbenzamide?
4-propyl-N-quinolin-3-ylbenzamide has a molecular weight of 290.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 4298023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).