7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide

C24H29N3O4 — CID 11362251

IUPAC7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)n(C)c12
InChIInChI=1S/C24H29N3O4/c1-4-5-6-15-31-22-20(30-3)8-7-18-16-19(24(29)27(2)21(18)22)23(28)26-14-11-17-9-12-25-13-10-17/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3,(H,26,28)
InChIKeyMPSUQKFCJHJHTL-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.48
Rot. Bonds10

About 7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide

7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide (PubChem CID 11362251) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide
PubChem CID11362251
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)n(C)c12
InChIInChI=1S/C24H29N3O4/c1-4-5-6-15-31-22-20(30-3)8-7-18-16-19(24(29)27(2)21(18)22)23(28)26-14-11-17-9-12-25-13-10-17/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3,(H,26,28)
InChIKeyMPSUQKFCJHJHTL-UHFFFAOYSA-N
XLogP3.48
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide (CID 11362251) is 7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)n(C)c12.
What is the InChIKey of 7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide?
The InChIKey is MPSUQKFCJHJHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-5-6-15-31-22-20(30-3)8-7-18-16-19(24(29)27(2)21(18)22)23(28)26-14-11-17-9-12-25-13-10-17/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3,(H,26,28).
What are the key properties of 7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide?
7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 11362251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).