3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one

C21H27N3O3 — CID 57439762

IUPAC3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one
SMILESCN(C)CCOc1ccc2c(c1)[nH]c(=O)c1cc(OCCN(C)C)ccc12
InChIInChI=1S/C21H27N3O3/c1-23(2)9-11-26-15-5-7-17-18-8-6-16(27-12-10-24(3)4)14-20(18)22-21(25)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)
InChIKeyZHIWQUONUJPXMW-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.56
Rot. Bonds8

About 3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one

3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one (PubChem CID 57439762) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one.

Molecular Properties

Compound Name3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one
PubChem CID57439762
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one
SMILESCN(C)CCOc1ccc2c(c1)[nH]c(=O)c1cc(OCCN(C)C)ccc12
InChIInChI=1S/C21H27N3O3/c1-23(2)9-11-26-15-5-7-17-18-8-6-16(27-12-10-24(3)4)14-20(18)22-21(25)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)
InChIKeyZHIWQUONUJPXMW-UHFFFAOYSA-N
XLogP2.56
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
3,8-bis[2-(azetidin-1-yl)ethoxy]-5H-phenanthridin-6-one
CID 57439766
N,N-dimethyl-2-[(3-methyl-1H-indol-6-yl)oxy]ethanamine
CID 144980968
5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione
CID 121006527
2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
CID 57439560
2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one
CID 154382532
3-methoxy-5H-phenanthridin-6-one
CID 12706603
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one
CID 110174145
6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 82220385
3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
CID 139717151
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441

Frequently Asked Questions

What is the IUPAC name of 3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one?
The IUPAC name of 3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one (CID 57439762) is 3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one.
What is the SMILES notation for 3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one?
The canonical SMILES for 3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one is CN(C)CCOc1ccc2c(c1)[nH]c(=O)c1cc(OCCN(C)C)ccc12.
What is the InChIKey of 3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one?
The InChIKey is ZHIWQUONUJPXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-23(2)9-11-26-15-5-7-17-18-8-6-16(27-12-10-24(3)4)14-20(18)22-21(25)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3,(H,22,25).
What are the key properties of 3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one?
3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one has a molecular weight of 369.47 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one is sourced from PubChem (CID 57439762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).