N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine

C25H32N4O — CID 69420615

IUPACN',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1c(OC)ccc2c1c1c(C)c3cnccc3c(C)c1n2C
InChIInChI=1S/C25H32N4O/c1-7-29(8-2)14-13-27-24-21(30-6)10-9-20-23(24)22-16(3)19-15-26-12-11-18(19)17(4)25(22)28(20)5/h9-12,15,27H,7-8,13-14H2,1-6H3
InChIKeyUZLUGRSSQXYLIE-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.26
Rot. Bonds7

About N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine

N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine (PubChem CID 69420615) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine
PubChem CID69420615
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1c(OC)ccc2c1c1c(C)c3cnccc3c(C)c1n2C
InChIInChI=1S/C25H32N4O/c1-7-29(8-2)14-13-27-24-21(30-6)10-9-20-23(24)22-16(3)19-15-26-12-11-18(19)17(4)25(22)28(20)5/h9-12,15,27H,7-8,13-14H2,1-6H3
InChIKeyUZLUGRSSQXYLIE-UHFFFAOYSA-N
XLogP5.26
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine (CID 69420615) is N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine is CCN(CC)CCNc1c(OC)ccc2c1c1c(C)c3cnccc3c(C)c1n2C.
What is the InChIKey of N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine?
The InChIKey is UZLUGRSSQXYLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-7-29(8-2)14-13-27-24-21(30-6)10-9-20-23(24)22-16(3)19-15-26-12-11-18(19)17(4)25(22)28(20)5/h9-12,15,27H,7-8,13-14H2,1-6H3.
What are the key properties of N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine has a molecular weight of 404.56 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(9-methoxy-5,6,11-trimethylpyrido[4,3-b]carbazol-10-yl)ethane-1,2-diamine is sourced from PubChem (CID 69420615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).