2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide

C21H24N2O3 — CID 129145256

IUPAC2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N1CCCc2cc(-c3ccc(CC(=O)NCCO)cc3)ccc21
InChIInChI=1S/C21H24N2O3/c1-15(25)23-11-2-3-19-14-18(8-9-20(19)23)17-6-4-16(5-7-17)13-21(26)22-10-12-24/h4-9,14,24H,2-3,10-13H2,1H3,(H,22,26)
InChIKeyXKYLBFZGBQHKEN-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.30
Rot. Bonds5

About 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide

2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 129145256) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
PubChem CID129145256
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N1CCCc2cc(-c3ccc(CC(=O)NCCO)cc3)ccc21
InChIInChI=1S/C21H24N2O3/c1-15(25)23-11-2-3-19-14-18(8-9-20(19)23)17-6-4-16(5-7-17)13-21(26)22-10-12-24/h4-9,14,24H,2-3,10-13H2,1H3,(H,22,26)
InChIKeyXKYLBFZGBQHKEN-UHFFFAOYSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide
CID 129145248
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
tert-butyl N-[2-[[2-[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetyl]amino]ethyl]carbamate
CID 129145057
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
1-[6-[2-(propylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262345
2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid
CID 82368579
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide (CID 129145256) is 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide is CC(=O)N1CCCc2cc(-c3ccc(CC(=O)NCCO)cc3)ccc21.
What is the InChIKey of 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is XKYLBFZGBQHKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(25)23-11-2-3-19-14-18(8-9-20(19)23)17-6-4-16(5-7-17)13-21(26)22-10-12-24/h4-9,14,24H,2-3,10-13H2,1H3,(H,22,26).
What are the key properties of 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide?
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 129145256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).