1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one

C20H23NO2 — CID 72709163

IUPAC1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C20H23NO2/c22-18-5-6-21(17-4-2-1-3-16(17)18)19(23)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5-12H2
InChIKeyVXTHIPICDQCHJC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.82
Rot. Bonds1

About 1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one

1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one (PubChem CID 72709163) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one
PubChem CID72709163
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C20H23NO2/c22-18-5-6-21(17-4-2-1-3-16(17)18)19(23)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5-12H2
InChIKeyVXTHIPICDQCHJC-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylacridone
CID 69751
10-(6-(diethylamino)hexyl)acridin-9(10H)-one
CID 44566054
N-[1-(4-tert-butylbenzoyl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]-N-phenylacetamide
CID 2835229
1,3,3-Trimethyl-2,4(1H,3H)-quinolinedione
CID 99216
1-(1-Naphthoyl)-1,2,3,4-tetrahydroquinoline
CID 593315
10-(5-(diethylamino)pentyl)acridin-9(10H)-one
CID 14014889
2-[(1-Adamantylacetyl)amino]benzamide
CID 2960790
N-((2S,4R)-1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 1101166
N-((2R,4S)-1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 1101169
3-methyl-6-(piperidin-1-yl)-2H-naphtho[1,2,3-de]quinoline-2,7(3H)-dione
CID 1961333
N-(1-Benzoyl-2-methyl-1,2,3,4-tetrahydro-quinolin-4-yl)-N-phenyl-acetamide
CID 2835215
N-(2-acetylphenyl)adamantane-1-carboxamide
CID 2836426

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one (CID 72709163) is 1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of 1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one?
The InChIKey is VXTHIPICDQCHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-18-5-6-21(17-4-2-1-3-16(17)18)19(23)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5-12H2.
What are the key properties of 1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one?
1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one has a molecular weight of 309.41 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 72709163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).