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

C17H18N2O2 — CID 2978904

IUPACN-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2O2/c1-21-16-8-6-15(7-9-16)18-17(20)19-11-10-13-4-2-3-5-14(13)12-19/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyTWVWQKRHANKZRS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.29
Rot. Bonds2

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

N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 2978904) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID2978904
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2O2/c1-21-16-8-6-15(7-9-16)18-17(20)19-11-10-13-4-2-3-5-14(13)12-19/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyTWVWQKRHANKZRS-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-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 2978904) is N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1ccc(NC(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is TWVWQKRHANKZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-8-6-15(7-9-16)18-17(20)19-11-10-13-4-2-3-5-14(13)12-19/h2-9H,10-12H2,1H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(4-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-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 2978904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).