N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide

C28H32N2O4 — CID 42710941

IUPACN-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide
SMILESCCCN(CC(=O)N1CCc2cc(OC)c(OC)cc2C1C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H32N2O4/c1-5-13-29(28(32)23-11-10-20-8-6-7-9-21(20)15-23)18-27(31)30-14-12-22-16-25(33-3)26(34-4)17-24(22)19(30)2/h6-11,15-17,19H,5,12-14,18H2,1-4H3
InChIKeyWFIHPJHZGUAOJK-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.86
Rot. Bonds7

About N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide

N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide (PubChem CID 42710941) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide
PubChem CID42710941
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide
SMILESCCCN(CC(=O)N1CCc2cc(OC)c(OC)cc2C1C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H32N2O4/c1-5-13-29(28(32)23-11-10-20-8-6-7-9-21(20)15-23)18-27(31)30-14-12-22-16-25(33-3)26(34-4)17-24(22)19(30)2/h6-11,15-17,19H,5,12-14,18H2,1-4H3
InChIKeyWFIHPJHZGUAOJK-UHFFFAOYSA-N
XLogP4.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42710944
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide
CID 42710474
[(1S)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-2-ylmethanone
CID 41048830
(1R)-N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 906733
4-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylbenzamide
CID 4666319
3-methoxy-N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
CID 46011002
4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
CID 4313062
N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propylnaphthalene-2-carboxamide
CID 92950442
(2-bromophenyl)-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 7660284
1-(7-methoxy-1-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 563942
[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 7646919
N-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioyl]benzamide
CID 1287775

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide?
The IUPAC name of N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide (CID 42710941) is N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide is CCCN(CC(=O)N1CCc2cc(OC)c(OC)cc2C1C)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide?
The InChIKey is WFIHPJHZGUAOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-5-13-29(28(32)23-11-10-20-8-6-7-9-21(20)15-23)18-27(31)30-14-12-22-16-25(33-3)26(34-4)17-24(22)19(30)2/h6-11,15-17,19H,5,12-14,18H2,1-4H3.
What are the key properties of N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide?
N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-propylnaphthalene-2-carboxamide is sourced from PubChem (CID 42710941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).