7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline

C19H31N3O — CID 112721477

IUPAC7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCCOc1cc2c(cc1CN1CCN(C)CC1)CCN(C)C2C
InChIInChI=1S/C19H31N3O/c1-5-23-19-13-18-15(2)21(4)7-6-16(18)12-17(19)14-22-10-8-20(3)9-11-22/h12-13,15H,5-11,14H2,1-4H3
InChIKeySVUUHZKHOMPRFB-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.38
Rot. Bonds4

About 7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline

7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 112721477) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID112721477
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCCOc1cc2c(cc1CN1CCN(C)CC1)CCN(C)C2C
InChIInChI=1S/C19H31N3O/c1-5-23-19-13-18-15(2)21(4)7-6-16(18)12-17(19)14-22-10-8-20(3)9-11-22/h12-13,15H,5-11,14H2,1-4H3
InChIKeySVUUHZKHOMPRFB-UHFFFAOYSA-N
XLogP2.38
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(7-ethoxy-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721481
N-[(7-ethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine
CID 83956328
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
4-[(7-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721569
7-ethoxy-3-methyl-6-(piperidin-1-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline
CID 112721505
ethyl 7-ethoxy-6-(ethylaminomethyl)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957283
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
7-ethoxy-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 155395845
1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137338112
7-tert-butyl-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 168846404
1-[(2-ethoxy-4,5-difluorophenyl)methyl]pyrrolidine;methanamine
CID 177027717
ethyl 7-ethoxy-6-[(3-hydroxypropylamino)methyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721840

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 112721477) is 7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline is CCOc1cc2c(cc1CN1CCN(C)CC1)CCN(C)C2C.
What is the InChIKey of 7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is SVUUHZKHOMPRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-23-19-13-18-15(2)21(4)7-6-16(18)12-17(19)14-22-10-8-20(3)9-11-22/h12-13,15H,5-11,14H2,1-4H3.
What are the key properties of 7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline?
7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 317.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1,2-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112721477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).