N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H18N2O — CID 2901712

IUPACN-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCc2ccccc2C1
InChIInChI=1S/C20H18N2O/c23-20(22-13-12-15-6-1-2-8-17(15)14-22)21-19-11-5-9-16-7-3-4-10-18(16)19/h1-11H,12-14H2,(H,21,23)
InChIKeyWUGGUAGEWUFWDV-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.43
Rot. Bonds1

About N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 2901712) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID2901712
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCc2ccccc2C1
InChIInChI=1S/C20H18N2O/c23-20(22-13-12-15-6-1-2-8-17(15)14-22)21-19-11-5-9-16-7-3-4-10-18(16)19/h1-11H,12-14H2,(H,21,23)
InChIKeyWUGGUAGEWUFWDV-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 668231
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CID 81387
1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006
2,2-Dimethyl-2,3-dihydroperimidine
CID 72628
1-Piperazinecarboxylic acid, 4-(1-naphthylcarbamoyl)-, ethyl ester
CID 379219
2-(2-nitrophenyl)-2,3-dihydro-1H-perimidine
CID 256654
2-(3-nitrophenyl)-2,3-dihydro-1H-perimidine
CID 727031
1-(Naphthalen-2-yl)-3-phenylurea
CID 239526
2-p-Tolyl-2,3-dihydro-1H-perimidine
CID 727034
2-(3-methylphenyl)-2,3-dihydro-1H-perimidine
CID 761639
Urea, 1-(1-naphthyl)-3-phenyl-
CID 239525

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 2901712) is N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1cccc2ccccc12)N1CCc2ccccc2C1.
What is the InChIKey of N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is WUGGUAGEWUFWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c23-20(22-13-12-15-6-1-2-8-17(15)14-22)21-19-11-5-9-16-7-3-4-10-18(16)19/h1-11H,12-14H2,(H,21,23).
What are the key properties of N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 2901712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).