7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide

C23H33N3O5 — CID 11373824

IUPAC7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
InChIInChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
InChIKeyLUVUCWNTDYQNSF-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.18
Rot. Bonds10

About 7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide

7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide (PubChem CID 11373824) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is 7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide
PubChem CID11373824
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
InChIInChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
InChIKeyLUVUCWNTDYQNSF-UHFFFAOYSA-N
XLogP2.18
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide?
The IUPAC name of 7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide (CID 11373824) is 7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12.
What is the InChIKey of 7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide?
The InChIKey is LUVUCWNTDYQNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27).
What are the key properties of 7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide?
7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide is sourced from PubChem (CID 11373824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).