3-iodo-2-methyl-1-propan-2-ylquinolin-4-one

C13H14INO — CID 176548683

IUPAC3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
SMILESCc1c(I)c(=O)c2ccccc2n1C(C)C
InChIInChI=1S/C13H14INO/c1-8(2)15-9(3)12(14)13(16)10-6-4-5-7-11(10)15/h4-8H,1-3H3
InChIKeyMEPXMBLSGCDRRS-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.50
Rot. Bonds1

About 3-iodo-2-methyl-1-propan-2-ylquinolin-4-one

3-iodo-2-methyl-1-propan-2-ylquinolin-4-one (PubChem CID 176548683) has the molecular formula C13H14INO and a molecular weight of 327.17 g/mol. Its IUPAC name is 3-iodo-2-methyl-1-propan-2-ylquinolin-4-one.

Molecular Properties

Compound Name3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
PubChem CID176548683
Molecular FormulaC13H14INO
Molecular Weight327.17 g/mol
Exact Mass327.01
IUPAC Name3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
SMILESCc1c(I)c(=O)c2ccccc2n1C(C)C
InChIInChI=1S/C13H14INO/c1-8(2)15-9(3)12(14)13(16)10-6-4-5-7-11(10)15/h4-8H,1-3H3
InChIKeyMEPXMBLSGCDRRS-UHFFFAOYSA-N
XLogP3.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.50
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-fluoro-2-methyl-1-propan-2-ylindole
CID 150270032
2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one
CID 164522218
N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
CID 176548686
3-amino-4-propan-2-ylfuro[3,2-b]quinolin-9-one
CID 149001224
2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one
CID 170419866
4-amino-1-propan-2-ylquinazolin-2-one
CID 156889369
4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one
CID 125483876
2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone
CID 83860125
10-(2-methylpropyl)acridin-9-one
CID 59742563
2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82247809
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one
CID 176685707

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methyl-1-propan-2-ylquinolin-4-one?
The IUPAC name of 3-iodo-2-methyl-1-propan-2-ylquinolin-4-one (CID 176548683) is 3-iodo-2-methyl-1-propan-2-ylquinolin-4-one.
What is the SMILES notation for 3-iodo-2-methyl-1-propan-2-ylquinolin-4-one?
The canonical SMILES for 3-iodo-2-methyl-1-propan-2-ylquinolin-4-one is Cc1c(I)c(=O)c2ccccc2n1C(C)C.
What is the InChIKey of 3-iodo-2-methyl-1-propan-2-ylquinolin-4-one?
The InChIKey is MEPXMBLSGCDRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO/c1-8(2)15-9(3)12(14)13(16)10-6-4-5-7-11(10)15/h4-8H,1-3H3.
What are the key properties of 3-iodo-2-methyl-1-propan-2-ylquinolin-4-one?
3-iodo-2-methyl-1-propan-2-ylquinolin-4-one has a molecular weight of 327.17 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methyl-1-propan-2-ylquinolin-4-one is sourced from PubChem (CID 176548683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).