N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide

C18H16N2O2 — CID 68840052

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H16N2O2/c21-12-14-7-5-13(6-8-14)11-19-18(22)17-10-9-15-3-1-2-4-16(15)20-17/h1-10,21H,11-12H2,(H,19,22)
InChIKeyWEOPRZBCXNTSHE-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.66
Rot. Bonds4

About N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide

N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide (PubChem CID 68840052) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
PubChem CID68840052
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H16N2O2/c21-12-14-7-5-13(6-8-14)11-19-18(22)17-10-9-15-3-1-2-4-16(15)20-17/h1-10,21H,11-12H2,(H,19,22)
InChIKeyWEOPRZBCXNTSHE-UHFFFAOYSA-N
XLogP2.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
CID 60653534
N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46490718
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 38971731
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide
CID 121165463
N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide
CID 121048410

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide (CID 68840052) is N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide is O=C(NCc1ccc(CO)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide?
The InChIKey is WEOPRZBCXNTSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-12-14-7-5-13(6-8-14)11-19-18(22)17-10-9-15-3-1-2-4-16(15)20-17/h1-10,21H,11-12H2,(H,19,22).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide?
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 68840052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).