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

C16H11ClINO — CID 139213783

IUPAC4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline
SMILESCOc1ccccc1-c1nc2ccccc2c(Cl)c1I
InChIInChI=1S/C16H11ClINO/c1-20-13-9-5-3-7-11(13)16-15(18)14(17)10-6-2-4-8-12(10)19-16/h2-9H,1H3
InChIKeyQRVJKTAEWAIPBB-UHFFFAOYSA-N
MW395.63 g/mol
LogP5.17
Rot. Bonds2

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

4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline (PubChem CID 139213783) has the molecular formula C16H11ClINO and a molecular weight of 395.63 g/mol. Its IUPAC name is 4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline.

Molecular Properties

Compound Name4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline
PubChem CID139213783
Molecular FormulaC16H11ClINO
Molecular Weight395.63 g/mol
Exact Mass394.96
IUPAC Name4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline
SMILESCOc1ccccc1-c1nc2ccccc2c(Cl)c1I
InChIInChI=1S/C16H11ClINO/c1-20-13-9-5-3-7-11(13)16-15(18)14(17)10-6-2-4-8-12(10)19-16/h2-9H,1H3
InChIKeyQRVJKTAEWAIPBB-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'}

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Related Compounds

4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
CID 139213784
4-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67700753
1-benzyl-4-chloro-3,5-bis(2-methoxyphenyl)pyrazole
CID 19587127
4,6-dichloro-2-(2-methoxyphenyl)quinazoline
CID 63084991
1-(2-methoxyphenyl)-3,4-diphenylisoquinoline
CID 102102468
2-chloro-3-(2-methoxyphenyl)quinoline
CID 13200184
2-acridin-9-yl-6-methoxyaniline
CID 150368327
4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline
CID 139213820
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
4-chloro-6-fluoro-2-(2-methoxyphenyl)quinazoline
CID 58683904
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
4-iodo-3-(2-methoxyphenyl)-1,2-oxazole
CID 53254672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline?
The IUPAC name of 4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline (CID 139213783) is 4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline.
What is the SMILES notation for 4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline?
The canonical SMILES for 4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline is COc1ccccc1-c1nc2ccccc2c(Cl)c1I.
What is the InChIKey of 4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline?
The InChIKey is QRVJKTAEWAIPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClINO/c1-20-13-9-5-3-7-11(13)16-15(18)14(17)10-6-2-4-8-12(10)19-16/h2-9H,1H3.
What are the key properties of 4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline?
4-chloro-3-iodo-2-(2-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-(2-methoxyphenyl)quinoline is sourced from PubChem (CID 139213783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).