N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide

C14H14N2O2 — CID 169466219

IUPACN-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c(=O)cc[nH]c2c1
InChIInChI=1S/C14H14N2O2/c1-10(17)15-7-2-3-11-4-5-12-13(9-11)16-8-6-14(12)18/h2-6,8-9H,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyUSJUYMUEBWOKJJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.68
Rot. Bonds3

About N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide

N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide (PubChem CID 169466219) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide
PubChem CID169466219
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c(=O)cc[nH]c2c1
InChIInChI=1S/C14H14N2O2/c1-10(17)15-7-2-3-11-4-5-12-13(9-11)16-8-6-14(12)18/h2-6,8-9H,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyUSJUYMUEBWOKJJ-UHFFFAOYSA-N
XLogP1.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(4-oxo-1H-quinolin-7-yl)but-3-enoate
CID 170501649
S-[4-(4-oxo-1H-quinolin-7-yl)but-3-enyl] ethanethioate
CID 170480883
6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one
CID 169474322
methyl 4-(4-oxo-1H-quinolin-6-yl)but-3-enoate
CID 170501646
N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide
CID 169466209
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[4-(1H-indol-6-yl)but-3-enyl]acetamide
CID 170488820
N-[3-(3-oxo-2H-isoquinolin-6-yl)prop-2-enyl]acetamide
CID 169466218
N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
CID 169465580
N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide
CID 169465629
N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
CID 169465579
N-[4-(1H-indol-5-yl)but-3-enyl]acetamide
CID 170488817

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide (CID 169466219) is N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc2c(=O)cc[nH]c2c1.
What is the InChIKey of N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide?
The InChIKey is USJUYMUEBWOKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(17)15-7-2-3-11-4-5-12-13(9-11)16-8-6-14(12)18/h2-6,8-9H,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide?
N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide has a molecular weight of 242.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).