N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

C21H28N2O2 — CID 59408262

IUPACN-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCc1ccc2c(c1)CCCN2C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C21H28N2O2/c1-13-4-5-18-15(7-13)3-2-6-23(18)20(24)22-19-16-8-14-9-17(19)12-21(25,10-14)11-16/h4-5,7,14,16-17,19,25H,2-3,6,8-12H2,1H3,(H,22,24)
InChIKeyMMXKWJCJNYMLAR-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.40
Rot. Bonds1

About N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 59408262) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID59408262
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCc1ccc2c(c1)CCCN2C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C21H28N2O2/c1-13-4-5-18-15(7-13)3-2-6-23(18)20(24)22-19-16-8-14-9-17(19)12-21(25,10-14)11-16/h4-5,7,14,16-17,19,25H,2-3,6,8-12H2,1H3,(H,22,24)
InChIKeyMMXKWJCJNYMLAR-UHFFFAOYSA-N
XLogP3.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Hydroxy-2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 164620450
4-[(5-hydroxy-2-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 164627437
N-cyclohexyl-6-methyl-3,4-dihydro-1(2H)-quinolinecarboxamide
CID 6467963
5-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 25134134
N-(5-fluoro-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 25134139
4-[4-(4,4-difluoropiperidin-1-yl)phenyl]-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 44230157
6-[1-(4-fluorophenyl)-4-hydroxy-4-piperidin-1-ylbutan-2-yl]-3,4-dihydro-1H-quinazolin-2-one
CID 57315841
6-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 59408241
8-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 59408257
7-fluoro-N-(5-hydroxy-2-adamantyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 59408269
N-[(1R,3S)-5-fluoro-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 59658171
N-(5-hydroxy-2-adamantyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 66628511

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 59408262) is N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is Cc1ccc2c(c1)CCCN2C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is MMXKWJCJNYMLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-13-4-5-18-15(7-13)3-2-6-23(18)20(24)22-19-16-8-14-9-17(19)12-21(25,10-14)11-16/h4-5,7,14,16-17,19,25H,2-3,6,8-12H2,1H3,(H,22,24).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 59408262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).