N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide

C18H20N2O3 — CID 110011778

IUPACN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC1C2CCC(C2)C1CO)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H20N2O3/c21-9-14-10-5-6-11(7-10)16(14)20-18(23)13-8-19-15-4-2-1-3-12(15)17(13)22/h1-4,8,10-11,14,16,21H,5-7,9H2,(H,19,22)(H,20,23)
InChIKeyPJUZFTQKWCYEFL-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.66
Rot. Bonds3

About N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide

N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 110011778) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID110011778
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC1C2CCC(C2)C1CO)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H20N2O3/c21-9-14-10-5-6-11(7-10)16(14)20-18(23)13-8-19-15-4-2-1-3-12(15)17(13)22/h1-4,8,10-11,14,16,21H,5-7,9H2,(H,19,22)(H,20,23)
InChIKeyPJUZFTQKWCYEFL-UHFFFAOYSA-N
XLogP1.66
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982
2-(1H-indol-3-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 103767102
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95091675
1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114096973
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 62519123
N-[2-(hydroxymethyl)cyclopentyl]-1H-indole-3-carboxamide
CID 103774231
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
N-[6-tert-butyl-3-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 163769092
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 154868176
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide (CID 110011778) is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(NC1C2CCC(C2)C1CO)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is PJUZFTQKWCYEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-9-14-10-5-6-11(7-10)16(14)20-18(23)13-8-19-15-4-2-1-3-12(15)17(13)22/h1-4,8,10-11,14,16,21H,5-7,9H2,(H,19,22)(H,20,23).
What are the key properties of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110011778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).