(4-iodophenyl)-(2-methylquinolin-6-yl)methanone

C17H12INO — CID 115790394

IUPAC(4-iodophenyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)c3ccc(I)cc3)ccc2n1
InChIInChI=1S/C17H12INO/c1-11-2-3-13-10-14(6-9-16(13)19-11)17(20)12-4-7-15(18)8-5-12/h2-10H,1H3
InChIKeyYIMNYMXNZDAAAV-UHFFFAOYSA-N
MW373.19 g/mol
LogP4.38
Rot. Bonds2

About (4-iodophenyl)-(2-methylquinolin-6-yl)methanone

(4-iodophenyl)-(2-methylquinolin-6-yl)methanone (PubChem CID 115790394) has the molecular formula C17H12INO and a molecular weight of 373.19 g/mol. Its IUPAC name is (4-iodophenyl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(4-iodophenyl)-(2-methylquinolin-6-yl)methanone
PubChem CID115790394
Molecular FormulaC17H12INO
Molecular Weight373.19 g/mol
Exact Mass373.00
IUPAC Name(4-iodophenyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)c3ccc(I)cc3)ccc2n1
InChIInChI=1S/C17H12INO/c1-11-2-3-13-10-14(6-9-16(13)19-11)17(20)12-4-7-15(18)8-5-12/h2-10H,1H3
InChIKeyYIMNYMXNZDAAAV-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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Related Compounds

(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
(3-chloro-4-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790445
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone
CID 105121470
(2-methylquinolin-6-yl)-thiophen-3-ylmethanone
CID 81216754
(3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790335
2-hydroxy-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 103446086
(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone
CID 81221022
(2-methylquinolin-6-yl)-pyrimidin-4-ylmethanone
CID 81219966
(3-methyl-2-pyridinyl)-(2-methylquinolin-6-yl)methanone
CID 81220178
2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone
CID 82697228
2,2-dimethoxy-1-(2-methylquinolin-6-yl)ethanone
CID 81220955

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (4-iodophenyl)-(2-methylquinolin-6-yl)methanone (CID 115790394) is (4-iodophenyl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (4-iodophenyl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (4-iodophenyl)-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)c3ccc(I)cc3)ccc2n1.
What is the InChIKey of (4-iodophenyl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is YIMNYMXNZDAAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12INO/c1-11-2-3-13-10-14(6-9-16(13)19-11)17(20)12-4-7-15(18)8-5-12/h2-10H,1H3.
What are the key properties of (4-iodophenyl)-(2-methylquinolin-6-yl)methanone?
(4-iodophenyl)-(2-methylquinolin-6-yl)methanone 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 (4-iodophenyl)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 115790394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).