N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide

C16H20N2O3 — CID 54683986

IUPACN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide
SMILESCCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-2-3-4-5-10-13(19)18-14-15(20)11-8-6-7-9-12(11)17-16(14)21/h6-9H,2-5,10H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyTWSNQWIBRZVNRU-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.14
Rot. Bonds6

About N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide

N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide (PubChem CID 54683986) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide
PubChem CID54683986
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide
SMILESCCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-2-3-4-5-10-13(19)18-14-15(20)11-8-6-7-9-12(11)17-16(14)21/h6-9H,2-5,10H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyTWSNQWIBRZVNRU-UHFFFAOYSA-N
XLogP3.14
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide?
The IUPAC name of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide (CID 54683986) is N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide.
What is the SMILES notation for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide?
The canonical SMILES for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide is CCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide?
The InChIKey is TWSNQWIBRZVNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-3-4-5-10-13(19)18-14-15(20)11-8-6-7-9-12(11)17-16(14)21/h6-9H,2-5,10H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide?
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide has a molecular weight of 288.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide is sourced from PubChem (CID 54683986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).