N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide

C18H18N2O2 — CID 669479

IUPACN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-13(21)19-16-10-8-15(9-11-16)18(22)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,19,21)
InChIKeyBTHHYGOCYRAYLZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.24
Rot. Bonds2

About N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide

N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide (PubChem CID 669479) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
PubChem CID669479
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-13(21)19-16-10-8-15(9-11-16)18(22)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,19,21)
InChIKeyBTHHYGOCYRAYLZ-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide (CID 669479) is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide?
The InChIKey is BTHHYGOCYRAYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(21)19-16-10-8-15(9-11-16)18(22)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,19,21).
What are the key properties of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide?
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 669479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).