6-iodo-2-methyl-4-(oxan-2-yl)quinoline

C15H16INO — CID 146169342

IUPAC6-iodo-2-methyl-4-(oxan-2-yl)quinoline
SMILESCc1cc(C2CCCCO2)c2cc(I)ccc2n1
InChIInChI=1S/C15H16INO/c1-10-8-13(15-4-2-3-7-18-15)12-9-11(16)5-6-14(12)17-10/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyRCXVVEQDBGXXRU-UHFFFAOYSA-N
MW353.20 g/mol
LogP4.39
Rot. Bonds1

About 6-iodo-2-methyl-4-(oxan-2-yl)quinoline

6-iodo-2-methyl-4-(oxan-2-yl)quinoline (PubChem CID 146169342) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 6-iodo-2-methyl-4-(oxan-2-yl)quinoline.

Molecular Properties

Compound Name6-iodo-2-methyl-4-(oxan-2-yl)quinoline
PubChem CID146169342
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name6-iodo-2-methyl-4-(oxan-2-yl)quinoline
SMILESCc1cc(C2CCCCO2)c2cc(I)ccc2n1
InChIInChI=1S/C15H16INO/c1-10-8-13(15-4-2-3-7-18-15)12-9-11(16)5-6-14(12)17-10/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyRCXVVEQDBGXXRU-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.39
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

6-iodo-2-methylquinolin-4-amine
CID 62201802
6-iodo-4-methoxy-2-methylquinoline
CID 82581194
4-chloro-2-methyl-6-[(2S)-oxan-2-yl]pyridine
CID 162412127
2-(2-fluoro-5-methylphenyl)oxane
CID 142365700
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
CID 56776945
2-[(2R)-oxan-2-yl]phenol
CID 92978074
2-anthracen-2-yloxane
CID 91801960
6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole
CID 95190849
7-methyl-2-(oxan-2-yl)imidazo[1,2-a]pyridine
CID 117134276
2,4-dichloro-3-(cyclopropylmethyl)-6-iodoquinoline
CID 118022420
6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde
CID 65328561
4-bromo-3-(oxan-2-yl)pyridine
CID 130132088

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methyl-4-(oxan-2-yl)quinoline?
The IUPAC name of 6-iodo-2-methyl-4-(oxan-2-yl)quinoline (CID 146169342) is 6-iodo-2-methyl-4-(oxan-2-yl)quinoline.
What is the SMILES notation for 6-iodo-2-methyl-4-(oxan-2-yl)quinoline?
The canonical SMILES for 6-iodo-2-methyl-4-(oxan-2-yl)quinoline is Cc1cc(C2CCCCO2)c2cc(I)ccc2n1.
What is the InChIKey of 6-iodo-2-methyl-4-(oxan-2-yl)quinoline?
The InChIKey is RCXVVEQDBGXXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-10-8-13(15-4-2-3-7-18-15)12-9-11(16)5-6-14(12)17-10/h5-6,8-9,15H,2-4,7H2,1H3.
What are the key properties of 6-iodo-2-methyl-4-(oxan-2-yl)quinoline?
6-iodo-2-methyl-4-(oxan-2-yl)quinoline has a molecular weight of 353.20 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methyl-4-(oxan-2-yl)quinoline is sourced from PubChem (CID 146169342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).