6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline

C15H20Cl2N2 — CID 10402464

IUPAC6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline
SMILESClc1cc2c(cc1Cl)CN(CCN1CCCC1)CC2
InChIInChI=1S/C15H20Cl2N2/c16-14-9-12-3-6-19(11-13(12)10-15(14)17)8-7-18-4-1-2-5-18/h9-10H,1-8,11H2
InChIKeyOADNZCMECFFNQU-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.45
Rot. Bonds3

About 6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline

6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 10402464) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.24 g/mol. Its IUPAC name is 6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID10402464
Molecular FormulaC15H20Cl2N2
Molecular Weight299.24 g/mol
Exact Mass298.10
IUPAC Name6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline
SMILESClc1cc2c(cc1Cl)CN(CCN1CCCC1)CC2
InChIInChI=1S/C15H20Cl2N2/c16-14-9-12-3-6-19(11-13(12)10-15(14)17)8-7-18-4-1-2-5-18/h9-10H,1-8,11H2
InChIKeyOADNZCMECFFNQU-UHFFFAOYSA-N
XLogP3.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline (CID 10402464) is 6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline is Clc1cc2c(cc1Cl)CN(CCN1CCCC1)CC2.
What is the InChIKey of 6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is OADNZCMECFFNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c16-14-9-12-3-6-19(11-13(12)10-15(14)17)8-7-18-4-1-2-5-18/h9-10H,1-8,11H2.
What are the key properties of 6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline?
6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 299.24 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10402464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).