4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide

C21H21N3O3 — CID 110675556

IUPAC4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide
SMILESCC(C)c1cc2cc(CC(=O)Nc3ccc(C(N)=O)cc3)ccc2[nH]c1=O
InChIInChI=1S/C21H21N3O3/c1-12(2)17-11-15-9-13(3-8-18(15)24-21(17)27)10-19(25)23-16-6-4-14(5-7-16)20(22)26/h3-9,11-12H,10H2,1-2H3,(H2,22,26)(H,23,25)(H,24,27)
InChIKeyLVWPUPVVJFGYLU-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.93
Rot. Bonds5

About 4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide

4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide (PubChem CID 110675556) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide
PubChem CID110675556
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide
SMILESCC(C)c1cc2cc(CC(=O)Nc3ccc(C(N)=O)cc3)ccc2[nH]c1=O
InChIInChI=1S/C21H21N3O3/c1-12(2)17-11-15-9-13(3-8-18(15)24-21(17)27)10-19(25)23-16-6-4-14(5-7-16)20(22)26/h3-9,11-12H,10H2,1-2H3,(H2,22,26)(H,23,25)(H,24,27)
InChIKeyLVWPUPVVJFGYLU-UHFFFAOYSA-N
XLogP2.93
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[2-(4-methoxy-3-propan-2-ylphenyl)acetyl]amino]benzamide
CID 110767597
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetamide
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4-[[2-(2-ethyl-3H-benzimidazol-5-yl)acetyl]amino]benzamide
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4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 63589054
4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide
CID 110769227
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
N-(4-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 16849660
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
N-(4-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390148
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142
2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide
CID 110675682

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide (CID 110675556) is 4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide is CC(C)c1cc2cc(CC(=O)Nc3ccc(C(N)=O)cc3)ccc2[nH]c1=O.
What is the InChIKey of 4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide?
The InChIKey is LVWPUPVVJFGYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-12(2)17-11-15-9-13(3-8-18(15)24-21(17)27)10-19(25)23-16-6-4-14(5-7-16)20(22)26/h3-9,11-12H,10H2,1-2H3,(H2,22,26)(H,23,25)(H,24,27).
What are the key properties of 4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide?
4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetyl]amino]benzamide is sourced from PubChem (CID 110675556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).