N-tert-butylphenanthridine-6-carboxamide

C18H18N2O — CID 102585131

IUPACN-tert-butylphenanthridine-6-carboxamide
SMILESCC(C)(C)NC(=O)c1nc2ccccc2c2ccccc12
InChIInChI=1S/C18H18N2O/c1-18(2,3)20-17(21)16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-16/h4-11H,1-3H3,(H,20,21)
InChIKeyMSQHVMFBHUTOSQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.92
Rot. Bonds1

About N-tert-butylphenanthridine-6-carboxamide

N-tert-butylphenanthridine-6-carboxamide (PubChem CID 102585131) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-tert-butylphenanthridine-6-carboxamide.

Molecular Properties

Compound NameN-tert-butylphenanthridine-6-carboxamide
PubChem CID102585131
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-tert-butylphenanthridine-6-carboxamide
SMILESCC(C)(C)NC(=O)c1nc2ccccc2c2ccccc12
InChIInChI=1S/C18H18N2O/c1-18(2,3)20-17(21)16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-16/h4-11H,1-3H3,(H,20,21)
InChIKeyMSQHVMFBHUTOSQ-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.92
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

iridium;phenanthridine-6-carboxylic acid
CID 59015465
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
1-(tert-butylamino)-3-phenanthridin-6-ylpropan-2-one
CID 125487640
carbazol-9-yl(phenanthridin-6-yl)methanone
CID 139193554
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
1-(3-hydroxy-4-methylquinolin-2-yl)ethanone
CID 134989412

Frequently Asked Questions

What is the IUPAC name of N-tert-butylphenanthridine-6-carboxamide?
The IUPAC name of N-tert-butylphenanthridine-6-carboxamide (CID 102585131) is N-tert-butylphenanthridine-6-carboxamide.
What is the SMILES notation for N-tert-butylphenanthridine-6-carboxamide?
The canonical SMILES for N-tert-butylphenanthridine-6-carboxamide is CC(C)(C)NC(=O)c1nc2ccccc2c2ccccc12.
What is the InChIKey of N-tert-butylphenanthridine-6-carboxamide?
The InChIKey is MSQHVMFBHUTOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,3)20-17(21)16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-16/h4-11H,1-3H3,(H,20,21).
What are the key properties of N-tert-butylphenanthridine-6-carboxamide?
N-tert-butylphenanthridine-6-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylphenanthridine-6-carboxamide is sourced from PubChem (CID 102585131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).