6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline

C23H30N2 — CID 134345474

IUPAC6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc2c(c1)CN(Cc1ccc3c(c1)C(C(C)C)CCN3)CC2
InChIInChI=1S/C23H30N2/c1-16(2)21-8-10-24-23-7-5-18(13-22(21)23)14-25-11-9-19-6-4-17(3)12-20(19)15-25/h4-7,12-13,16,21,24H,8-11,14-15H2,1-3H3
InChIKeyCFMCYTCMPJTSEA-UHFFFAOYSA-N
MW334.51 g/mol
LogP5.11
Rot. Bonds3

About 6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline

6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 134345474) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID134345474
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc2c(c1)CN(Cc1ccc3c(c1)C(C(C)C)CCN3)CC2
InChIInChI=1S/C23H30N2/c1-16(2)21-8-10-24-23-7-5-18(13-22(21)23)14-25-11-9-19-6-4-17(3)12-20(19)15-25/h4-7,12-13,16,21,24H,8-11,14-15H2,1-3H3
InChIKeyCFMCYTCMPJTSEA-UHFFFAOYSA-N
XLogP5.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 134345474) is 6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline is Cc1ccc2c(c1)CN(Cc1ccc3c(c1)C(C(C)C)CCN3)CC2.
What is the InChIKey of 6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is CFMCYTCMPJTSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-16(2)21-8-10-24-23-7-5-18(13-22(21)23)14-25-11-9-19-6-4-17(3)12-20(19)15-25/h4-7,12-13,16,21,24H,8-11,14-15H2,1-3H3.
What are the key properties of 6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 334.51 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 134345474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).