N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide

C17H14N2O2 — CID 112733916

IUPACN-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1ccnc2ccccc12
InChIInChI=1S/C17H14N2O2/c20-13-5-3-4-12(10-13)11-19-17(21)15-8-9-18-16-7-2-1-6-14(15)16/h1-10,20H,11H2,(H,19,21)
InChIKeyQIYRHZHVDZEMGP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.87
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide

N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 112733916) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID112733916
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1ccnc2ccccc12
InChIInChI=1S/C17H14N2O2/c20-13-5-3-4-12(10-13)11-19-17(21)15-8-9-18-16-7-2-1-6-14(15)16/h1-10,20H,11H2,(H,19,21)
InChIKeyQIYRHZHVDZEMGP-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide
CID 78954261
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
CID 107697606
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]quinoline-4-carboxamide
CID 112821366
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide
CID 75503534
N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide
CID 155734185
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 107519523

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide (CID 112733916) is N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide is O=C(NCc1cccc(O)c1)c1ccnc2ccccc12.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is QIYRHZHVDZEMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-13-5-3-4-12(10-13)11-19-17(21)15-8-9-18-16-7-2-1-6-14(15)16/h1-10,20H,11H2,(H,19,21).
What are the key properties of N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide?
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 112733916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).