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

C25H30N2O4 — CID 11618679

IUPAC7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKWGCCNJTWRSFKV-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.47
Rot. Bonds11

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

7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide (PubChem CID 11618679) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
PubChem CID11618679
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKWGCCNJTWRSFKV-UHFFFAOYSA-N
XLogP4.47
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.47
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-(3-phenylpropyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide (CID 11618679) is 7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12.
What is the InChIKey of 7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide?
The InChIKey is KWGCCNJTWRSFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide?
7-methoxy-2-oxo-8-pentoxy-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.47, 11 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-(3-phenylpropyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11618679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).