6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

C19H18N2O3 — CID 3217675

IUPAC6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C19H18N2O3/c1-24-14-7-8-17-15(11-14)18(22)16(12-21-17)19(23)20-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyDRHOCQZKFXUCQR-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.51
Rot. Bonds5

About 6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 3217675) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID3217675
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C19H18N2O3/c1-24-14-7-8-17-15(11-14)18(22)16(12-21-17)19(23)20-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyDRHOCQZKFXUCQR-UHFFFAOYSA-N
XLogP2.51
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (CID 3217675) is 6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is COc1ccc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is DRHOCQZKFXUCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-24-14-7-8-17-15(11-14)18(22)16(12-21-17)19(23)20-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).