naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C26H26N4O — CID 123365431

IUPACnaphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCC(C)c1cn(CC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)nn1
InChIInChI=1S/C26H26N4O/c1-18(2)25-17-29(28-27-25)16-22-14-20-9-3-4-10-21(20)15-30(22)26(31)24-13-7-11-19-8-5-6-12-23(19)24/h3-13,17-18,22H,14-16H2,1-2H3
InChIKeyYZYOLYZZHCZKHQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.82
Rot. Bonds4

About naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 123365431) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID123365431
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Namenaphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCC(C)c1cn(CC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)nn1
InChIInChI=1S/C26H26N4O/c1-18(2)25-17-29(28-27-25)16-22-14-20-9-3-4-10-21(20)15-30(22)26(31)24-13-7-11-19-8-5-6-12-23(19)24/h3-13,17-18,22H,14-16H2,1-2H3
InChIKeyYZYOLYZZHCZKHQ-UHFFFAOYSA-N
XLogP4.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-yl-[3-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 123937571
[3-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 70694153
[3-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 70685793
[3-[[4-(2-methylpropoxy)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 123703793
[3-[(5-methoxypyrimidin-2-yl)oxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 123968170
[(3S)-3-[(4-methylphenyl)sulfanylmethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 118219448
[3-[[4-(diethylamino)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 123486085
naphthalen-1-yl-[3-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 144882573
(2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 123901612
N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide
CID 167929325
(3R)-2-(1-propan-2-ylindole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 166401325
(4-chlorophenyl)-[3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 18914316

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 123365431) is naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is CC(C)c1cn(CC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)nn1.
What is the InChIKey of naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is YZYOLYZZHCZKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18(2)25-17-29(28-27-25)16-22-14-20-9-3-4-10-21(20)15-30(22)26(31)24-13-7-11-19-8-5-6-12-23(19)24/h3-13,17-18,22H,14-16H2,1-2H3.
What are the key properties of naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 410.52 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[3-[(4-propan-2-yltriazol-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 123365431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).