4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine

C22H22ClNO3 — CID 155017293

IUPAC4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine
SMILESCOc1cc2c(cc1OC)C1=CC(OCc3ccccc3)=CC(Cl)N1CC2
InChIInChI=1S/C22H22ClNO3/c1-25-20-10-16-8-9-24-19(18(16)13-21(20)26-2)11-17(12-22(24)23)27-14-15-6-4-3-5-7-15/h3-7,10-13,22H,8-9,14H2,1-2H3
InChIKeyGEUYCZGNMUFRJJ-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.58
Rot. Bonds5

About 4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine

4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine (PubChem CID 155017293) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine.

Molecular Properties

Compound Name4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine
PubChem CID155017293
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine
SMILESCOc1cc2c(cc1OC)C1=CC(OCc3ccccc3)=CC(Cl)N1CC2
InChIInChI=1S/C22H22ClNO3/c1-25-20-10-16-8-9-24-19(18(16)13-21(20)26-2)11-17(12-22(24)23)27-14-15-6-4-3-5-7-15/h3-7,10-13,22H,8-9,14H2,1-2H3
InChIKeyGEUYCZGNMUFRJJ-UHFFFAOYSA-N
XLogP4.58
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
6,7-dimethoxy-2-[1-[3-(4-phenylmethoxyphenoxy)propyl]piperidin-3-yl]-3,4-dihydroisoquinolin-1-one
CID 10864385
10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine
CID 59471521
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
1-(7-methoxy-1-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 563942
(13aR)-11-methoxy-2,3-dimethyl-10-phenylmethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 118477573
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
benzyl 7-methoxy-1-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 11270028
6-methoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium chloride
CID 44723298
2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 91109625
8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 23254647

Frequently Asked Questions

What is the IUPAC name of 4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine?
The IUPAC name of 4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine (CID 155017293) is 4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine.
What is the SMILES notation for 4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine?
The canonical SMILES for 4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine is COc1cc2c(cc1OC)C1=CC(OCc3ccccc3)=CC(Cl)N1CC2.
What is the InChIKey of 4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine?
The InChIKey is GEUYCZGNMUFRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-25-20-10-16-8-9-24-19(18(16)13-21(20)26-2)11-17(12-22(24)23)27-14-15-6-4-3-5-7-15/h3-7,10-13,22H,8-9,14H2,1-2H3.
What are the key properties of 4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine?
4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine has a molecular weight of 383.88 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine is sourced from PubChem (CID 155017293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).