(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone

C17H12INO — CID 122393251

IUPAC(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone
SMILESCc1cc(I)cc(C(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C17H12INO/c1-11-8-13(10-14(18)9-11)17(20)16-7-6-12-4-2-3-5-15(12)19-16/h2-10H,1H3
InChIKeyMVRCLXSAKZMSTO-UHFFFAOYSA-N
MW373.19 g/mol
LogP4.38
Rot. Bonds2

About (3-iodo-5-methylphenyl)-quinolin-2-ylmethanone

(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone (PubChem CID 122393251) has the molecular formula C17H12INO and a molecular weight of 373.19 g/mol. Its IUPAC name is (3-iodo-5-methylphenyl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone
PubChem CID122393251
Molecular FormulaC17H12INO
Molecular Weight373.19 g/mol
Exact Mass373.00
IUPAC Name(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone
SMILESCc1cc(I)cc(C(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C17H12INO/c1-11-8-13(10-14(18)9-11)17(20)16-7-6-12-4-2-3-5-15(12)19-16/h2-10H,1H3
InChIKeyMVRCLXSAKZMSTO-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-iodo-5-methylphenyl)-quinolin-2-ylmethanone?
The IUPAC name of (3-iodo-5-methylphenyl)-quinolin-2-ylmethanone (CID 122393251) is (3-iodo-5-methylphenyl)-quinolin-2-ylmethanone.
What is the SMILES notation for (3-iodo-5-methylphenyl)-quinolin-2-ylmethanone?
The canonical SMILES for (3-iodo-5-methylphenyl)-quinolin-2-ylmethanone is Cc1cc(I)cc(C(=O)c2ccc3ccccc3n2)c1.
What is the InChIKey of (3-iodo-5-methylphenyl)-quinolin-2-ylmethanone?
The InChIKey is MVRCLXSAKZMSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12INO/c1-11-8-13(10-14(18)9-11)17(20)16-7-6-12-4-2-3-5-15(12)19-16/h2-10H,1H3.
What are the key properties of (3-iodo-5-methylphenyl)-quinolin-2-ylmethanone?
(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone has a molecular weight of 373.19 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-5-methylphenyl)-quinolin-2-ylmethanone is sourced from PubChem (CID 122393251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).