N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide

C17H20N2O3 — CID 57397830

IUPACN-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C17H20N2O3/c20-14-9-5-8-12-15(21)10-13(19-16(12)14)17(22)18-11-6-3-1-2-4-7-11/h5,8-11,20H,1-4,6-7H2,(H,18,22)(H,19,21)
InChIKeyISQINEPQCJJGMP-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.69
Rot. Bonds2

About N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide

N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 57397830) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide
PubChem CID57397830
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C17H20N2O3/c20-14-9-5-8-12-15(21)10-13(19-16(12)14)17(22)18-11-6-3-1-2-4-7-11/h5,8-11,20H,1-4,6-7H2,(H,18,22)(H,19,21)
InChIKeyISQINEPQCJJGMP-UHFFFAOYSA-N
XLogP2.69
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide (CID 57397830) is N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide is O=C(NC1CCCCCC1)c1cc(=O)c2cccc(O)c2[nH]1.
What is the InChIKey of N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is ISQINEPQCJJGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-14-9-5-8-12-15(21)10-13(19-16(12)14)17(22)18-11-6-3-1-2-4-7-11/h5,8-11,20H,1-4,6-7H2,(H,18,22)(H,19,21).
What are the key properties of N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide?
N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 57397830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).