methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide

C23H34N2O4 — CID 142970358

IUPACmethanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NC2(C)CCCCCC2)cc2ccc(OC)cc21.CO
InChIInChI=1S/C22H30N2O3.CH4O/c1-4-13-24-19-15-17(27-3)10-9-16(19)14-18(21(24)26)20(25)23-22(2)11-7-5-6-8-12-22;1-2/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,23,25);2H,1H3
InChIKeyJHZGGCREEMZWCT-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.87
Rot. Bonds5

About methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide

methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 142970358) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound Namemethanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID142970358
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Namemethanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NC2(C)CCCCCC2)cc2ccc(OC)cc21.CO
InChIInChI=1S/C22H30N2O3.CH4O/c1-4-13-24-19-15-17(27-3)10-9-16(19)14-18(21(24)26)20(25)23-22(2)11-7-5-6-8-12-22;1-2/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,23,25);2H,1H3
InChIKeyJHZGGCREEMZWCT-UHFFFAOYSA-N
XLogP3.87
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide (CID 142970358) is methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)NC2(C)CCCCCC2)cc2ccc(OC)cc21.CO.
What is the InChIKey of methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is JHZGGCREEMZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3.CH4O/c1-4-13-24-19-15-17(27-3)10-9-16(19)14-18(21(24)26)20(25)23-22(2)11-7-5-6-8-12-22;1-2/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,23,25);2H,1H3.
What are the key properties of methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide?
methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 142970358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).