2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide

C28H24FN3O3 — CID 50814347

IUPAC2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21
InChIInChI=1S/C28H24FN3O3/c1-18-14-21(29)10-11-24(18)30-26(33)17-32-25-9-5-4-8-22(25)23(15-27(32)34)28(35)31-13-12-19-6-2-3-7-20(19)16-31/h2-11,14-15H,12-13,16-17H2,1H3,(H,30,33)
InChIKeyZMBMNNUAZBLQRB-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.29
Rot. Bonds4

About 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide

2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 50814347) has the molecular formula C28H24FN3O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
PubChem CID50814347
Molecular FormulaC28H24FN3O3
Molecular Weight469.52 g/mol
Exact Mass469.18
IUPAC Name2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21
InChIInChI=1S/C28H24FN3O3/c1-18-14-21(29)10-11-24(18)30-26(33)17-32-25-9-5-4-8-22(25)23(15-27(32)34)28(35)31-13-12-19-6-2-3-7-20(19)16-31/h2-11,14-15H,12-13,16-17H2,1H3,(H,30,33)
InChIKeyZMBMNNUAZBLQRB-UHFFFAOYSA-N
XLogP4.29
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide with MolForge

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Related Compounds

2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17251217
N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251227
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 25287384
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251216
N-(2,5-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251117
N-(2,3-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251039
N-(2-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814188
N-(3-fluorophenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814310
N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 17251089
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
N-(4-fluoro-2-methylphenyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 53143832
N-[3-methyl-4-(propanoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47039755

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide (CID 50814347) is 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)ccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21.
What is the InChIKey of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide?
The InChIKey is ZMBMNNUAZBLQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O3/c1-18-14-21(29)10-11-24(18)30-26(33)17-32-25-9-5-4-8-22(25)23(15-27(32)34)28(35)31-13-12-19-6-2-3-7-20(19)16-31/h2-11,14-15H,12-13,16-17H2,1H3,(H,30,33).
What are the key properties of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide?
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide has a molecular weight of 469.52 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 50814347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).