5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline

C11H13ClIN — CID 164646221

IUPAC5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2c(I)ccc(Cl)c21
InChIInChI=1S/C11H13ClIN/c1-11(2)5-6-14-10-8(13)4-3-7(12)9(10)11/h3-4,14H,5-6H2,1-2H3
InChIKeySAASPTOPGWQLQU-UHFFFAOYSA-N
MW321.59 g/mol
LogP4.04
Rot. Bonds

About 5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline

5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline (PubChem CID 164646221) has the molecular formula C11H13ClIN and a molecular weight of 321.59 g/mol. Its IUPAC name is 5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline
PubChem CID164646221
Molecular FormulaC11H13ClIN
Molecular Weight321.59 g/mol
Exact Mass320.98
IUPAC Name5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2c(I)ccc(Cl)c21
InChIInChI=1S/C11H13ClIN/c1-11(2)5-6-14-10-8(13)4-3-7(12)9(10)11/h3-4,14H,5-6H2,1-2H3
InChIKeySAASPTOPGWQLQU-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.59
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,9-dichloro-2,2-dimethyl-4,5-dihydro-3H-1,5-benzoxazepine
CID 104523654
(3R)-3-(3,4-dichlorophenyl)-3-methylpiperidine
CID 95456606
7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline
CID 130489570
4-fluoro-4,8-dimethyl-2,3-dihydro-1H-quinoline
CID 84718184
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
8-chloro-4,4-dimethyl-6-prop-1-en-2-yl-2,3-dihydro-1H-1,7-naphthyridine
CID 122501472
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine
CID 117445362
2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
CID 117335369
5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 84621337
8-iodo-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 130758404
4-chloro-7-(1-methoxy-2,2-dimethylpropyl)spiro[1,2-dihydroindole-3,4'-piperidine]
CID 90036015

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline (CID 164646221) is 5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline is CC1(C)CCNc2c(I)ccc(Cl)c21.
What is the InChIKey of 5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is SAASPTOPGWQLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClIN/c1-11(2)5-6-14-10-8(13)4-3-7(12)9(10)11/h3-4,14H,5-6H2,1-2H3.
What are the key properties of 5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline has a molecular weight of 321.59 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-iodo-4,4-dimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 164646221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).