N-(1-adamantyl)quinoline-3-carboxamide

C20H22N2O — CID 12042753

IUPACN-(1-adamantyl)quinoline-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2c1
InChIInChI=1S/C20H22N2O/c23-19(17-8-16-3-1-2-4-18(16)21-12-17)22-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-4,8,12-15H,5-7,9-11H2,(H,22,23)
InChIKeyFVQAOJSJLLDAKM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.93
Rot. Bonds2

About N-(1-adamantyl)quinoline-3-carboxamide

N-(1-adamantyl)quinoline-3-carboxamide (PubChem CID 12042753) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1-adamantyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)quinoline-3-carboxamide
PubChem CID12042753
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(1-adamantyl)quinoline-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2c1
InChIInChI=1S/C20H22N2O/c23-19(17-8-16-3-1-2-4-18(16)21-12-17)22-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-4,8,12-15H,5-7,9-11H2,(H,22,23)
InChIKeyFVQAOJSJLLDAKM-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)quinoline-3-carboxamide?
The IUPAC name of N-(1-adamantyl)quinoline-3-carboxamide (CID 12042753) is N-(1-adamantyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)quinoline-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)quinoline-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2c1.
What is the InChIKey of N-(1-adamantyl)quinoline-3-carboxamide?
The InChIKey is FVQAOJSJLLDAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-19(17-8-16-3-1-2-4-18(16)21-12-17)22-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-4,8,12-15H,5-7,9-11H2,(H,22,23).
What are the key properties of N-(1-adamantyl)quinoline-3-carboxamide?
N-(1-adamantyl)quinoline-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)quinoline-3-carboxamide is sourced from PubChem (CID 12042753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).