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

C17H18N2O2 — CID 3567933

IUPACN-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc(NC(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C17H18N2O2/c1-21-16-8-4-7-15(11-16)18-17(20)19-10-9-13-5-2-3-6-14(13)12-19/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyCNZWHOVDWFGBOU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.29
Rot. Bonds2

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

N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 3567933) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID3567933
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc(NC(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C17H18N2O2/c1-21-16-8-4-7-15(11-16)18-17(20)19-10-9-13-5-2-3-6-14(13)12-19/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyCNZWHOVDWFGBOU-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 3567933) is N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cccc(NC(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is CNZWHOVDWFGBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-8-4-7-15(11-16)18-17(20)19-10-9-13-5-2-3-6-14(13)12-19/h2-8,11H,9-10,12H2,1H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 3567933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).