6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline

C19H30N2O2 — CID 120898579

IUPAC6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCCOc1cc2c(cc1OCC)CN(CC1(C)CCNC1)CC2
InChIInChI=1S/C19H30N2O2/c1-4-22-17-10-15-6-9-21(14-19(3)7-8-20-13-19)12-16(15)11-18(17)23-5-2/h10-11,20H,4-9,12-14H2,1-3H3
InChIKeySDJBEHAOOFCLTR-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.84
Rot. Bonds6

About 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline

6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 120898579) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID120898579
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCCOc1cc2c(cc1OCC)CN(CC1(C)CCNC1)CC2
InChIInChI=1S/C19H30N2O2/c1-4-22-17-10-15-6-9-21(14-19(3)7-8-20-13-19)12-16(15)11-18(17)23-5-2/h10-11,20H,4-9,12-14H2,1-3H3
InChIKeySDJBEHAOOFCLTR-UHFFFAOYSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120903906
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
5-chloro-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 120900285
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120618683
1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
CID 120904397
1-(2-ethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898323
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120901494
4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899675
3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
CID 120903903
2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
CID 120899277
(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554
2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide
CID 8993438

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 120898579) is 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline is CCOc1cc2c(cc1OCC)CN(CC1(C)CCNC1)CC2.
What is the InChIKey of 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is SDJBEHAOOFCLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-22-17-10-15-6-9-21(14-19(3)7-8-20-13-19)12-16(15)11-18(17)23-5-2/h10-11,20H,4-9,12-14H2,1-3H3.
What are the key properties of 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 318.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 120898579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).