6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline

C20H25NO — CID 142307127

IUPAC6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Cc2ccccc2)cc2c1NCCC2C(C)C
InChIInChI=1S/C20H25NO/c1-14(2)17-9-10-21-20-18(17)12-16(13-19(20)22-3)11-15-7-5-4-6-8-15/h4-8,12-14,17,21H,9-11H2,1-3H3
InChIKeyFJWJZXPDGZTVMF-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.84
Rot. Bonds4

About 6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline

6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 142307127) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID142307127
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Cc2ccccc2)cc2c1NCCC2C(C)C
InChIInChI=1S/C20H25NO/c1-14(2)17-9-10-21-20-18(17)12-16(13-19(20)22-3)11-15-7-5-4-6-8-15/h4-8,12-14,17,21H,9-11H2,1-3H3
InChIKeyFJWJZXPDGZTVMF-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 142306810
6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 142306731
(2S)-2-amino-N-[(4R)-6-benzyl-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338768
4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
CID 142306893
6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane
CID 142306693
3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
CID 142307025
6-benzyl-4-tert-butyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 134338559
4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane
CID 142306928
ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 134352008
8-methoxy-4-phenyl-1,2,3,4-tetrahydroquinoline
CID 54763699
3-methoxy-1-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-2,1,3-benzoxadiazole
CID 142307152
5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323038

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 142307127) is 6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline is COc1cc(Cc2ccccc2)cc2c1NCCC2C(C)C.
What is the InChIKey of 6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is FJWJZXPDGZTVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-14(2)17-9-10-21-20-18(17)12-16(13-19(20)22-3)11-15-7-5-4-6-8-15/h4-8,12-14,17,21H,9-11H2,1-3H3.
What are the key properties of 6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 295.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142307127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).