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

C24H28N2O4 — CID 11718456

IUPAC7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyNVXBFYPKOXNBBB-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.08
Rot. Bonds10

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

7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 11718456) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID11718456
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyNVXBFYPKOXNBBB-UHFFFAOYSA-N
XLogP4.08
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (CID 11718456) is 7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12.
What is the InChIKey of 7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is NVXBFYPKOXNBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-oxo-8-pentoxy-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11718456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).