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

C24H30N4O — CID 3068871

IUPACN',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1nccc2c(C)c3c(cc12)c1cc(OC)ccc1n3C
InChIInChI=1S/C24H30N4O/c1-6-28(7-2)13-12-26-24-21-15-20-19-14-17(29-5)8-9-22(19)27(4)23(20)16(3)18(21)10-11-25-24/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,26)
InChIKeyFIRFTJHDICWOJW-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.95
Rot. Bonds7

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

N',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine (PubChem CID 3068871) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine
PubChem CID3068871
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1nccc2c(C)c3c(cc12)c1cc(OC)ccc1n3C
InChIInChI=1S/C24H30N4O/c1-6-28(7-2)13-12-26-24-21-15-20-19-14-17(29-5)8-9-22(19)27(4)23(20)16(3)18(21)10-11-25-24/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,26)
InChIKeyFIRFTJHDICWOJW-UHFFFAOYSA-N
XLogP4.95
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.95
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-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine (CID 3068871) is N',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine is CCN(CC)CCNc1nccc2c(C)c3c(cc12)c1cc(OC)ccc1n3C.
What is the InChIKey of N',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine?
The InChIKey is FIRFTJHDICWOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-6-28(7-2)13-12-26-24-21-15-20-19-14-17(29-5)8-9-22(19)27(4)23(20)16(3)18(21)10-11-25-24/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,26).
What are the key properties of N',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(9-methoxy-5,6-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine has a molecular weight of 390.53 g/mol, XLogP of 4.95, 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-dimethylpyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 3068871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).