N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide

C19H20N2O — CID 101005918

IUPACN-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide
SMILESCc1nc(C(=O)NC(C)(C)C)cc2c1ccc1ccccc12
InChIInChI=1S/C19H20N2O/c1-12-14-10-9-13-7-5-6-8-15(13)16(14)11-17(20-12)18(22)21-19(2,3)4/h5-11H,1-4H3,(H,21,22)
InChIKeyVTOKXDHWTXHWIM-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.22
Rot. Bonds1

About N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide

N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide (PubChem CID 101005918) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide
PubChem CID101005918
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide
SMILESCc1nc(C(=O)NC(C)(C)C)cc2c1ccc1ccccc12
InChIInChI=1S/C19H20N2O/c1-12-14-10-9-13-7-5-6-8-15(13)16(14)11-17(20-12)18(22)21-19(2,3)4/h5-11H,1-4H3,(H,21,22)
InChIKeyVTOKXDHWTXHWIM-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide
CID 101112912
N-[3-(diethylamino)propyl]-4-methylbenzo[f]isoquinoline-2-carboxamide
CID 15431591
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
N-tert-butyl-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109216854
N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716804
1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide
CID 55043674
N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329638
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
CID 109329482
1-chloro-N-(4-hydroxy-2-methylbutan-2-yl)isoquinoline-3-carboxamide
CID 115968973
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide?
The IUPAC name of N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide (CID 101005918) is N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide is Cc1nc(C(=O)NC(C)(C)C)cc2c1ccc1ccccc12.
What is the InChIKey of N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide?
The InChIKey is VTOKXDHWTXHWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-12-14-10-9-13-7-5-6-8-15(13)16(14)11-17(20-12)18(22)21-19(2,3)4/h5-11H,1-4H3,(H,21,22).
What are the key properties of N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide?
N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylbenzo[f]isoquinoline-2-carboxamide is sourced from PubChem (CID 101005918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).