N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide

C22H26N2O4 — CID 53318301

IUPACN-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(OC)c2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c[nH]c12
InChIInChI=1S/C22H26N2O4/c1-27-16-3-4-17(28-2)19-18(16)20(25)15(11-23-19)21(26)24-22-8-12-5-13(9-22)7-14(6-12)10-22/h3-4,11-14H,5-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYGJOOZCAQVAHOP-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.24
Rot. Bonds4

About N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide

N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 53318301) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID53318301
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(OC)c2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c[nH]c12
InChIInChI=1S/C22H26N2O4/c1-27-16-3-4-17(28-2)19-18(16)20(25)15(11-23-19)21(26)24-22-8-12-5-13(9-22)7-14(6-12)10-22/h3-4,11-14H,5-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYGJOOZCAQVAHOP-UHFFFAOYSA-N
XLogP3.24
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylcarbamothioyl)-2,4-dimethoxybenzamide
CID 17314085
N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337054
N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 2923053
5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 66487941
N-(1-bicyclo[1.1.1]pentanyl)-2-iodo-4-methoxybenzamide
CID 172646902
N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-2,4-dimethoxybenzamide
CID 171979000
N-(1-adamantyl)-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 4898756
N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(1-adamantyl)-2-methyl-3-nitrobenzamide
CID 4003058
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
CID 42063752
N-(1-adamantyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3608484
N-(1-adamantyl)-4-hydroxy-2-methylbenzamide
CID 103863609

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide (CID 53318301) is N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide is COc1ccc(OC)c2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c[nH]c12.
What is the InChIKey of N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YGJOOZCAQVAHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-16-3-4-17(28-2)19-18(16)20(25)15(11-23-19)21(26)24-22-8-12-5-13(9-22)7-14(6-12)10-22/h3-4,11-14H,5-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide?
N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 53318301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).