4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline

C16H11ClINO — CID 139213784

IUPAC4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
SMILESCOc1cccc(-c2nc3ccccc3c(Cl)c2I)c1
InChIInChI=1S/C16H11ClINO/c1-20-11-6-4-5-10(9-11)16-15(18)14(17)12-7-2-3-8-13(12)19-16/h2-9H,1H3
InChIKeyNOASHAWWAYUNHG-UHFFFAOYSA-N
MW395.63 g/mol
LogP5.17
Rot. Bonds2

About 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline

4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline (PubChem CID 139213784) has the molecular formula C16H11ClINO and a molecular weight of 395.63 g/mol. Its IUPAC name is 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline.

Molecular Properties

Compound Name4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
PubChem CID139213784
Molecular FormulaC16H11ClINO
Molecular Weight395.63 g/mol
Exact Mass394.96
IUPAC Name4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
SMILESCOc1cccc(-c2nc3ccccc3c(Cl)c2I)c1
InChIInChI=1S/C16H11ClINO/c1-20-11-6-4-5-10(9-11)16-15(18)14(17)12-7-2-3-8-13(12)19-16/h2-9H,1H3
InChIKeyNOASHAWWAYUNHG-UHFFFAOYSA-N
XLogP5.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline 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-3-iodo-2-(2-methoxyphenyl)quinoline
CID 139213783
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-bromo-2-(3-methoxyphenyl)quinoline
CID 71658570
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
1-chloroisoquinoline;1-(3-methoxyphenyl)isoquinoline
CID 175032072
2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 54307577
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline
CID 67699971
4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole
CID 141358223
3,4-bis(3-methoxyphenyl)isoquinoline
CID 177415076
4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline
CID 139213820
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline?
The IUPAC name of 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline (CID 139213784) is 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline.
What is the SMILES notation for 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline?
The canonical SMILES for 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline is COc1cccc(-c2nc3ccccc3c(Cl)c2I)c1.
What is the InChIKey of 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline?
The InChIKey is NOASHAWWAYUNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClINO/c1-20-11-6-4-5-10(9-11)16-15(18)14(17)12-7-2-3-8-13(12)19-16/h2-9H,1H3.
What are the key properties of 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline?
4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline has a molecular weight of 395.63 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline is sourced from PubChem (CID 139213784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).