N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide

C18H22N2O3 — CID 54685660

IUPACN-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NC2CCCCCC2)c(O)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-20-14-11-7-6-10-13(14)16(21)15(18(20)23)17(22)19-12-8-4-2-3-5-9-12/h6-7,10-12,21H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyQCCMAEDLQZEBEI-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.70
Rot. Bonds2

About N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide

N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 54685660) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID54685660
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NC2CCCCCC2)c(O)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-20-14-11-7-6-10-13(14)16(21)15(18(20)23)17(22)19-12-8-4-2-3-5-9-12/h6-7,10-12,21H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyQCCMAEDLQZEBEI-UHFFFAOYSA-N
XLogP2.70
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide (CID 54685660) is N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)NC2CCCCCC2)c(O)c2ccccc21.
What is the InChIKey of N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is QCCMAEDLQZEBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20-14-11-7-6-10-13(14)16(21)15(18(20)23)17(22)19-12-8-4-2-3-5-9-12/h6-7,10-12,21H,2-5,8-9H2,1H3,(H,19,22).
What are the key properties of N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54685660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).