6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one

C29H34N2O — CID 19803748

IUPAC6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one
SMILESCc1cc2c(cc1C)C(=O)N(CC1CCCN(Cc3c(C)ccc4ccccc34)C1)CC2
InChIInChI=1S/C29H34N2O/c1-20-10-11-24-8-4-5-9-26(24)28(20)19-30-13-6-7-23(17-30)18-31-14-12-25-15-21(2)22(3)16-27(25)29(31)32/h4-5,8-11,15-16,23H,6-7,12-14,17-19H2,1-3H3
InChIKeyRDBHKFZABVQMAX-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.68
Rot. Bonds4

About 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one

6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 19803748) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one
PubChem CID19803748
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC Name6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one
SMILESCc1cc2c(cc1C)C(=O)N(CC1CCCN(Cc3c(C)ccc4ccccc34)C1)CC2
InChIInChI=1S/C29H34N2O/c1-20-10-11-24-8-4-5-9-26(24)28(20)19-30-13-6-7-23(17-30)18-31-14-12-25-15-21(2)22(3)16-27(25)29(31)32/h4-5,8-11,15-16,23H,6-7,12-14,17-19H2,1-3H3
InChIKeyRDBHKFZABVQMAX-UHFFFAOYSA-N
XLogP5.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one with MolForge

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Related Compounds

6,7-dimethyl-2-[[1-(3-naphthalen-1-yloxypropyl)piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 57205242
6,7-dimethyl-2-[[1-(4-naphthalen-1-yloxybutyl)azepan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 57152022
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 95199453
6,7-dimethoxy-2-[[1-(4-naphthalen-1-yloxybutyl)piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 139722056
2-[[1-[3-(1H-indol-3-yl)propyl]pyrrolidin-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 19803691
6-[[1-(3-naphthalen-1-yloxypropyl)piperidin-3-yl]methyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one;hydrochloride
CID 139722039
2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one
CID 58318198
6,7-dimethoxy-2-[[1-[3-(6-methoxynaphthalen-1-yl)oxypropyl]azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 139721998
2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]azepan-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 19804151
6-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]piperidin-3-yl]methyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
CID 19804182
3-[[1-(2-anilinoethyl)piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
CID 19803529
1-[3-[(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]piperidin-1-yl]-3-naphthalen-1-ylpropan-2-ol;dihydrochloride
CID 19804026

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one (CID 19803748) is 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one is Cc1cc2c(cc1C)C(=O)N(CC1CCCN(Cc3c(C)ccc4ccccc34)C1)CC2.
What is the InChIKey of 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is RDBHKFZABVQMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O/c1-20-10-11-24-8-4-5-9-26(24)28(20)19-30-13-6-7-23(17-30)18-31-14-12-25-15-21(2)22(3)16-27(25)29(31)32/h4-5,8-11,15-16,23H,6-7,12-14,17-19H2,1-3H3.
What are the key properties of 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one?
6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 426.60 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-[[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 19803748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).