2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

C28H27N3O4 — CID 53000804

IUPAC2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCOc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)NC(C)CCc3ccccc3)c2c1
InChIInChI=1S/C28H27N3O4/c1-19(8-9-20-6-4-3-5-7-20)30-26(32)18-31-17-24(27(33)21-12-14-29-15-13-21)28(34)23-11-10-22(35-2)16-25(23)31/h3-7,10-17,19H,8-9,18H2,1-2H3,(H,30,32)
InChIKeyUOQUAJKFUGITLP-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.77
Rot. Bonds9

About 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 53000804) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID53000804
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCOc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)NC(C)CCc3ccccc3)c2c1
InChIInChI=1S/C28H27N3O4/c1-19(8-9-20-6-4-3-5-7-20)30-26(32)18-31-17-24(27(33)21-12-14-29-15-13-21)28(34)23-11-10-22(35-2)16-25(23)31/h3-7,10-17,19H,8-9,18H2,1-2H3,(H,30,32)
InChIKeyUOQUAJKFUGITLP-UHFFFAOYSA-N
XLogP3.77
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000765
N-(3-fluorophenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000787
N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000775
N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000732
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53000739
N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000629
2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
2-[8-(4-methoxybenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136005
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-(2-chlorophenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000849

Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide (CID 53000804) is 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide is COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)NC(C)CCc3ccccc3)c2c1.
What is the InChIKey of 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is UOQUAJKFUGITLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-19(8-9-20-6-4-3-5-7-20)30-26(32)18-31-17-24(27(33)21-12-14-29-15-13-21)28(34)23-11-10-22(35-2)16-25(23)31/h3-7,10-17,19H,8-9,18H2,1-2H3,(H,30,32).
What are the key properties of 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 469.54 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 53000804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).