N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide

C23H24N2O3 — CID 37184709

IUPACN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide
SMILESCC[C@H](CNC(=O)c1cc2ccccc2oc1=O)N1CCc2ccccc2C1
InChIInChI=1S/C23H24N2O3/c1-2-19(25-12-11-16-7-3-4-9-18(16)15-25)14-24-22(26)20-13-17-8-5-6-10-21(17)28-23(20)27/h3-10,13,19H,2,11-12,14-15H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyFBSKPWVPBBQMDY-LJQANCHMSA-N
MW376.46 g/mol
LogP3.36
Rot. Bonds5

About N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide

N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide (PubChem CID 37184709) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide
PubChem CID37184709
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide
SMILESCC[C@H](CNC(=O)c1cc2ccccc2oc1=O)N1CCc2ccccc2C1
InChIInChI=1S/C23H24N2O3/c1-2-19(25-12-11-16-7-3-4-9-18(16)15-25)14-24-22(26)20-13-17-8-5-6-10-21(17)28-23(20)27/h3-10,13,19H,2,11-12,14-15H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyFBSKPWVPBBQMDY-LJQANCHMSA-N
XLogP3.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methylfuran-3-carboxamide
CID 46414258
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,4-difluorobenzamide
CID 37184370
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methoxybenzamide
CID 39669627
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(trifluoromethyl)benzamide
CID 39672665
3,6-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]pyridine-2-carboxamide
CID 46414260
N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 26835109
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42957081
2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
CID 24624978
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]acetamide
CID 55610713
6-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46460633
1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 100655568
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 42910719

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide (CID 37184709) is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide is CC[C@H](CNC(=O)c1cc2ccccc2oc1=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide?
The InChIKey is FBSKPWVPBBQMDY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-2-19(25-12-11-16-7-3-4-9-18(16)15-25)14-24-22(26)20-13-17-8-5-6-10-21(17)28-23(20)27/h3-10,13,19H,2,11-12,14-15H2,1H3,(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide?
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 37184709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).