1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline

C24H20ClNO3 — CID 101082516

IUPAC1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline
SMILESCOc1ccc(-c2nc(Cl)c3cc(OC)ccc3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H20ClNO3/c1-27-17-8-4-15(5-9-17)22-20-13-12-19(29-3)14-21(20)24(25)26-23(22)16-6-10-18(28-2)11-7-16/h4-14H,1-3H3
InChIKeyZQCSAMDGLNSMTM-UHFFFAOYSA-N
MW405.88 g/mol
LogP6.25
Rot. Bonds5

About 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline

1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline (PubChem CID 101082516) has the molecular formula C24H20ClNO3 and a molecular weight of 405.88 g/mol. Its IUPAC name is 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline.

Molecular Properties

Compound Name1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline
PubChem CID101082516
Molecular FormulaC24H20ClNO3
Molecular Weight405.88 g/mol
Exact Mass405.11
IUPAC Name1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline
SMILESCOc1ccc(-c2nc(Cl)c3cc(OC)ccc3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H20ClNO3/c1-27-17-8-4-15(5-9-17)22-20-13-12-19(29-3)14-21(20)24(25)26-23(22)16-6-10-18(28-2)11-7-16/h4-14H,1-3H3
InChIKeyZQCSAMDGLNSMTM-UHFFFAOYSA-N
XLogP6.25
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)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

4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine
CID 86612224
1-chloro-4,6-dimethoxy-3-[4-(2-methylpropyl)phenyl]isoquinoline
CID 86683171
3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine
CID 177422470
4-chloro-1-[4-(chloromethyl)phenyl]-6-methoxyphthalazine
CID 86612230
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
1-chloro-3,4-difluoro-6-methoxyisoquinoline
CID 174525787
N-tert-butyl-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
CID 122214708
1-chloro-3-(2,6-dimethylphenyl)-4-(3-methoxyphenyl)-6-methylisoquinoline
CID 154487575
[4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane
CID 54040837
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
4-ethyl-6-methoxy-2,3-diphenylquinoline
CID 22395291
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline?
The IUPAC name of 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline (CID 101082516) is 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline.
What is the SMILES notation for 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline?
The canonical SMILES for 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline is COc1ccc(-c2nc(Cl)c3cc(OC)ccc3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline?
The InChIKey is ZQCSAMDGLNSMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3/c1-27-17-8-4-15(5-9-17)22-20-13-12-19(29-3)14-21(20)24(25)26-23(22)16-6-10-18(28-2)11-7-16/h4-14H,1-3H3.
What are the key properties of 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline?
1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline has a molecular weight of 405.88 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methoxy-3,4-bis(4-methoxyphenyl)isoquinoline is sourced from PubChem (CID 101082516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).