N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide

C20H24N2O2 — CID 90524773

IUPACN-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide
SMILESO=C1NCCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21
InChIInChI=1S/C20H24N2O2/c23-18-17-8-16(2-1-15(17)3-4-21-18)22-19(24)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-2,8,12-14H,3-7,9-11H2,(H,21,23)(H,22,24)
InChIKeyNDWXBTLSEUXWJH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.13
Rot. Bonds2

About N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide

N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide (PubChem CID 90524773) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide
PubChem CID90524773
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide
SMILESO=C1NCCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21
InChIInChI=1S/C20H24N2O2/c23-18-17-8-16(2-1-15(17)3-4-21-18)22-19(24)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-2,8,12-14H,3-7,9-11H2,(H,21,23)(H,22,24)
InChIKeyNDWXBTLSEUXWJH-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90524845
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
CID 56764976
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)thiophene-3-carboxamide
CID 56764977
5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
CID 90524797
2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide
CID 90524707
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2,2-diphenylacetamide
CID 56764999
4-tert-butyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524768
N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217
N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489
methyl 4-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamoyl]benzoate
CID 56764988
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide
CID 90524726
1-[(4-methoxyphenyl)methyl]-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 90524954

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide (CID 90524773) is N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide is O=C1NCCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21.
What is the InChIKey of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide?
The InChIKey is NDWXBTLSEUXWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-18-17-8-16(2-1-15(17)3-4-21-18)22-19(24)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-2,8,12-14H,3-7,9-11H2,(H,21,23)(H,22,24).
What are the key properties of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide?
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide is sourced from PubChem (CID 90524773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).