8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid

C25H32N2O5 — CID 22739576

IUPAC8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid
SMILESCCCOC(=O)CCOc1cc(CCCN(C)C)c2c(c1)c1c(C(=O)O)cccc1n2C
InChIInChI=1S/C25H32N2O5/c1-5-13-32-22(28)11-14-31-18-15-17(8-7-12-26(2)3)24-20(16-18)23-19(25(29)30)9-6-10-21(23)27(24)4/h6,9-10,15-16H,5,7-8,11-14H2,1-4H3,(H,29,30)
InChIKeyRXNYLYIMEXJEMD-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.25
Rot. Bonds11

About 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid

8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid (PubChem CID 22739576) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid.

Molecular Properties

Compound Name8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid
PubChem CID22739576
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid
SMILESCCCOC(=O)CCOc1cc(CCCN(C)C)c2c(c1)c1c(C(=O)O)cccc1n2C
InChIInChI=1S/C25H32N2O5/c1-5-13-32-22(28)11-14-31-18-15-17(8-7-12-26(2)3)24-20(16-18)23-19(25(29)30)9-6-10-21(23)27(24)4/h6,9-10,15-16H,5,7-8,11-14H2,1-4H3,(H,29,30)
InChIKeyRXNYLYIMEXJEMD-UHFFFAOYSA-N
XLogP4.25
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid with MolForge

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Related Compounds

propyl 3-[[5-carbamoyl-1-[3-(dimethylamino)propyl]-9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl]oxy]propanoate
CID 21264337
propyl 3-phenoxypropanoate
CID 43389568
2-[3-(dimethylamino)propoxy]-4-propoxybenzoic acid
CID 114525459
propyl 3-(2,6-dimethylphenoxy)propanoate
CID 78862887
1-(3-propoxyphenyl)indole-4-carboxylic acid
CID 178035433
2-butoxy-3-butylbenzoic acid
CID 22223226
8-[4-(8-decanoyloxyoctoxy)-3-[4-(dimethylamino)butanoyloxymethyl]phenoxy]octyl decanoate
CID 118916477
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzoic acid
CID 63726897
propyl 3-(3-butyl-2-hydroxyphenyl)propanoate
CID 22644112
2-[3-[4-(dimethylamino)butanoyloxymethyl]-4-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 130446759
2-(2-propanoyloxyethoxy)benzoic acid
CID 141005328
2-[5-carbamoyl-9-(7-cyanoheptyl)-1-propoxycarbazol-3-yl]oxybutanoic acid
CID 22738958

Frequently Asked Questions

What is the IUPAC name of 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid?
The IUPAC name of 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid (CID 22739576) is 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid.
What is the SMILES notation for 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid?
The canonical SMILES for 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid is CCCOC(=O)CCOc1cc(CCCN(C)C)c2c(c1)c1c(C(=O)O)cccc1n2C.
What is the InChIKey of 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid?
The InChIKey is RXNYLYIMEXJEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-5-13-32-22(28)11-14-31-18-15-17(8-7-12-26(2)3)24-20(16-18)23-19(25(29)30)9-6-10-21(23)27(24)4/h6,9-10,15-16H,5,7-8,11-14H2,1-4H3,(H,29,30).
What are the key properties of 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid?
8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid has a molecular weight of 440.54 g/mol, XLogP of 4.25, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(dimethylamino)propyl]-9-methyl-6-(3-oxo-3-propoxypropoxy)carbazole-4-carboxylic acid is sourced from PubChem (CID 22739576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).