3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide

C18H23N3O3 — CID 110415464

IUPAC3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESCC(=O)NCCC(=O)NCCc1cc2c(C)cc(C)cc2[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-11-8-12(2)15-10-14(18(24)21-16(15)9-11)4-6-20-17(23)5-7-19-13(3)22/h8-10H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyVUSPCPGFFKSQHH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.33
Rot. Bonds6

About 3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide

3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide (PubChem CID 110415464) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
PubChem CID110415464
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESCC(=O)NCCC(=O)NCCc1cc2c(C)cc(C)cc2[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-11-8-12(2)15-10-14(18(24)21-16(15)9-11)4-6-20-17(23)5-7-19-13(3)22/h8-10H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyVUSPCPGFFKSQHH-UHFFFAOYSA-N
XLogP1.33
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110616824
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 110415422
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110414004
1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110326400
1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
CID 110609150
1-[(3-chlorophenyl)methyl]-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110414049
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 3240947
2-(dimethylamino)-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylacetamide
CID 110609132
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110662819
ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110331739
5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
CID 110331696

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The IUPAC name of 3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide (CID 110415464) is 3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide is CC(=O)NCCC(=O)NCCc1cc2c(C)cc(C)cc2[nH]c1=O.
What is the InChIKey of 3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The InChIKey is VUSPCPGFFKSQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-8-12(2)15-10-14(18(24)21-16(15)9-11)4-6-20-17(23)5-7-19-13(3)22/h8-10H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide is sourced from PubChem (CID 110415464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).