2-iodo-7-propan-2-ylquinoline

C12H12IN — CID 155701301

IUPAC2-iodo-7-propan-2-ylquinoline
SMILESCC(C)c1ccc2ccc(I)nc2c1
InChIInChI=1S/C12H12IN/c1-8(2)10-4-3-9-5-6-12(13)14-11(9)7-10/h3-8H,1-2H3
InChIKeyKHCIWRQWLFGUBN-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.96
Rot. Bonds1

About 2-iodo-7-propan-2-ylquinoline

2-iodo-7-propan-2-ylquinoline (PubChem CID 155701301) has the molecular formula C12H12IN and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-iodo-7-propan-2-ylquinoline.

Molecular Properties

Compound Name2-iodo-7-propan-2-ylquinoline
PubChem CID155701301
Molecular FormulaC12H12IN
Molecular Weight297.14 g/mol
Exact Mass297.00
IUPAC Name2-iodo-7-propan-2-ylquinoline
SMILESCC(C)c1ccc2ccc(I)nc2c1
InChIInChI=1S/C12H12IN/c1-8(2)10-4-3-9-5-6-12(13)14-11(9)7-10/h3-8H,1-2H3
InChIKeyKHCIWRQWLFGUBN-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-7-propan-2-ylquinoline
CID 58290673
2,8-di(propan-2-yl)phenazine
CID 70800003
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
N-phenyl-7-propan-2-ylquinolin-2-amine
CID 126500193
2,9-di(propan-2-yl)pentacene
CID 153380534
2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline
CID 167447426
2-bromo-8-propan-2-ylphenazine
CID 119028481
ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene
CID 59610790
6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 164969621
3-chloro-6-propan-2-yl-1,2,4-benzotriazine
CID 91214432
2-propan-2-ylpentacene
CID 153380535

Frequently Asked Questions

What is the IUPAC name of 2-iodo-7-propan-2-ylquinoline?
The IUPAC name of 2-iodo-7-propan-2-ylquinoline (CID 155701301) is 2-iodo-7-propan-2-ylquinoline.
What is the SMILES notation for 2-iodo-7-propan-2-ylquinoline?
The canonical SMILES for 2-iodo-7-propan-2-ylquinoline is CC(C)c1ccc2ccc(I)nc2c1.
What is the InChIKey of 2-iodo-7-propan-2-ylquinoline?
The InChIKey is KHCIWRQWLFGUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN/c1-8(2)10-4-3-9-5-6-12(13)14-11(9)7-10/h3-8H,1-2H3.
What are the key properties of 2-iodo-7-propan-2-ylquinoline?
2-iodo-7-propan-2-ylquinoline has a molecular weight of 297.14 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7-propan-2-ylquinoline is sourced from PubChem (CID 155701301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).