5-butyl-2-ethylphenanthridin-6-one

C19H21NO — CID 46885467

IUPAC5-butyl-2-ethylphenanthridin-6-one
SMILESCCCCn1c(=O)c2ccccc2c2cc(CC)ccc21
InChIInChI=1S/C19H21NO/c1-3-5-12-20-18-11-10-14(4-2)13-17(18)15-8-6-7-9-16(15)19(20)21/h6-11,13H,3-5,12H2,1-2H3
InChIKeyQWKLZIALZQJOSN-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.52
Rot. Bonds4

About 5-butyl-2-ethylphenanthridin-6-one

5-butyl-2-ethylphenanthridin-6-one (PubChem CID 46885467) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-butyl-2-ethylphenanthridin-6-one.

Molecular Properties

Compound Name5-butyl-2-ethylphenanthridin-6-one
PubChem CID46885467
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-butyl-2-ethylphenanthridin-6-one
SMILESCCCCn1c(=O)c2ccccc2c2cc(CC)ccc21
InChIInChI=1S/C19H21NO/c1-3-5-12-20-18-11-10-14(4-2)13-17(18)15-8-6-7-9-16(15)19(20)21/h6-11,13H,3-5,12H2,1-2H3
InChIKeyQWKLZIALZQJOSN-UHFFFAOYSA-N
XLogP4.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Amonafide
CID 50515
6(5H)-Phenanthridinone
CID 1853
Mozavaptan
CID 119369
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
PJ-34
CID 4858
Solvent Yellow 44
CID 75589
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773
1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde
CID 2793014
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
2-(4-Methylphenyl)isoquinoline-1,3(2H,4H)-dione
CID 3739108

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethylphenanthridin-6-one?
The IUPAC name of 5-butyl-2-ethylphenanthridin-6-one (CID 46885467) is 5-butyl-2-ethylphenanthridin-6-one.
What is the SMILES notation for 5-butyl-2-ethylphenanthridin-6-one?
The canonical SMILES for 5-butyl-2-ethylphenanthridin-6-one is CCCCn1c(=O)c2ccccc2c2cc(CC)ccc21.
What is the InChIKey of 5-butyl-2-ethylphenanthridin-6-one?
The InChIKey is QWKLZIALZQJOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-5-12-20-18-11-10-14(4-2)13-17(18)15-8-6-7-9-16(15)19(20)21/h6-11,13H,3-5,12H2,1-2H3.
What are the key properties of 5-butyl-2-ethylphenanthridin-6-one?
5-butyl-2-ethylphenanthridin-6-one has a molecular weight of 279.38 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethylphenanthridin-6-one is sourced from PubChem (CID 46885467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).