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

C22H26N2O3 — CID 129145248

IUPAC3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide
SMILESCC(=O)N1CCCc2cc(-c3ccc(CCC(=O)NCCO)cc3)ccc21
InChIInChI=1S/C22H26N2O3/c1-16(26)24-13-2-3-20-15-19(9-10-21(20)24)18-7-4-17(5-8-18)6-11-22(27)23-12-14-25/h4-5,7-10,15,25H,2-3,6,11-14H2,1H3,(H,23,27)
InChIKeyRKBMWKAGYNMBGL-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.69
Rot. Bonds6

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

3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide (PubChem CID 129145248) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide
PubChem CID129145248
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide
SMILESCC(=O)N1CCCc2cc(-c3ccc(CCC(=O)NCCO)cc3)ccc21
InChIInChI=1S/C22H26N2O3/c1-16(26)24-13-2-3-20-15-19(9-10-21(20)24)18-7-4-17(5-8-18)6-11-22(27)23-12-14-25/h4-5,7-10,15,25H,2-3,6,11-14H2,1H3,(H,23,27)
InChIKeyRKBMWKAGYNMBGL-UHFFFAOYSA-N
XLogP2.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
CID 129145256
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
1-[6-[2-(propylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262345
1-[6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262503
N-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide
CID 139019291
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide (CID 129145248) is 3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide is CC(=O)N1CCCc2cc(-c3ccc(CCC(=O)NCCO)cc3)ccc21.
What is the InChIKey of 3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is RKBMWKAGYNMBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(26)24-13-2-3-20-15-19(9-10-21(20)24)18-7-4-17(5-8-18)6-11-22(27)23-12-14-25/h4-5,7-10,15,25H,2-3,6,11-14H2,1H3,(H,23,27).
What are the key properties of 3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide?
3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 366.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 129145248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).