N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C16H16N2O3 — CID 108895492

IUPACN-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1cc(O)cc(O)c1)N1CCc2ccccc2C1
InChIInChI=1S/C16H16N2O3/c19-14-7-13(8-15(20)9-14)17-16(21)18-6-5-11-3-1-2-4-12(11)10-18/h1-4,7-9,19-20H,5-6,10H2,(H,17,21)
InChIKeyWKXLZQHMEJSHRM-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.69
Rot. Bonds1

About N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 108895492) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID108895492
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1cc(O)cc(O)c1)N1CCc2ccccc2C1
InChIInChI=1S/C16H16N2O3/c19-14-7-13(8-15(20)9-14)17-16(21)18-6-5-11-3-1-2-4-12(11)10-18/h1-4,7-9,19-20H,5-6,10H2,(H,17,21)
InChIKeyWKXLZQHMEJSHRM-UHFFFAOYSA-N
XLogP2.69
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 68753684
N-[4-(diethylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989160
N-(4-acetyl-3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 20716372
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222
N-[3-methyl-4-(propanoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47039755
ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate
CID 970289
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide
CID 14267826
N-[4-[[(3S)-3-methylpentanoyl]amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 68752010
N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108812671
N-[2-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71895877

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 108895492) is N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1cc(O)cc(O)c1)N1CCc2ccccc2C1.
What is the InChIKey of N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is WKXLZQHMEJSHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14-7-13(8-15(20)9-14)17-16(21)18-6-5-11-3-1-2-4-12(11)10-18/h1-4,7-9,19-20H,5-6,10H2,(H,17,21).
What are the key properties of N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 108895492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).