7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide

C22H24N2O4 — CID 23555584

IUPAC7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide
SMILESCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C22H24N2O4/c1-3-13-28-20-18(27-2)10-9-16-14-17(22(26)24-19(16)20)21(25)23-12-11-15-7-5-4-6-8-15/h4-10,14H,3,11-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMZPRVRJPXGDREY-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.30
Rot. Bonds8

About 7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide

7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide (PubChem CID 23555584) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide
PubChem CID23555584
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide
SMILESCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C22H24N2O4/c1-3-13-28-20-18(27-2)10-9-16-14-17(22(26)24-19(16)20)21(25)23-12-11-15-7-5-4-6-8-15/h4-10,14H,3,11-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMZPRVRJPXGDREY-UHFFFAOYSA-N
XLogP3.30
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide (CID 23555584) is 7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide is CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12.
What is the InChIKey of 7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide?
The InChIKey is MZPRVRJPXGDREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-13-28-20-18(27-2)10-9-16-14-17(22(26)24-19(16)20)21(25)23-12-11-15-7-5-4-6-8-15/h4-10,14H,3,11-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide?
7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23555584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).