N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

C24H28N2O5 — CID 11697527

IUPACN-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)[nH]c12
InChIInChI=1S/C24H28N2O5/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)26-21(17)22)23(28)25-13-12-16-6-9-18(27)10-7-16/h6-11,15,27H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyAIRPNQJNJIBMOF-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.78
Rot. Bonds10

About N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide (PubChem CID 11697527) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
PubChem CID11697527
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)[nH]c12
InChIInChI=1S/C24H28N2O5/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)26-21(17)22)23(28)25-13-12-16-6-9-18(27)10-7-16/h6-11,15,27H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyAIRPNQJNJIBMOF-UHFFFAOYSA-N
XLogP3.78
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide (CID 11697527) is N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)[nH]c12.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The InChIKey is AIRPNQJNJIBMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)26-21(17)22)23(28)25-13-12-16-6-9-18(27)10-7-16/h6-11,15,27H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.78, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11697527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).