3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide

C21H21ClN4O2 — CID 10548805

IUPAC3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide
SMILESCc1[nH]c2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c(=O)c1CCC(=O)NN
InChIInChI=1S/C21H21ClN4O2/c1-9-17-14-8-12(22)4-6-15(14)25-19(17)10(2)18-20(9)24-11(3)13(21(18)28)5-7-16(27)26-23/h4,6,8,25H,5,7,23H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyODCIMVWCCLZZBL-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.66
Rot. Bonds3

About 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide

3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide (PubChem CID 10548805) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide.

Molecular Properties

Compound Name3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide
PubChem CID10548805
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide
SMILESCc1[nH]c2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c(=O)c1CCC(=O)NN
InChIInChI=1S/C21H21ClN4O2/c1-9-17-14-8-12(22)4-6-15(14)25-19(17)10(2)18-20(9)24-11(3)13(21(18)28)5-7-16(27)26-23/h4,6,8,25H,5,7,23H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyODCIMVWCCLZZBL-UHFFFAOYSA-N
XLogP3.66
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide?
The IUPAC name of 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide (CID 10548805) is 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide.
What is the SMILES notation for 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide?
The canonical SMILES for 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide is Cc1[nH]c2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c(=O)c1CCC(=O)NN.
What is the InChIKey of 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide?
The InChIKey is ODCIMVWCCLZZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-9-17-14-8-12(22)4-6-15(14)25-19(17)10(2)18-20(9)24-11(3)13(21(18)28)5-7-16(27)26-23/h4,6,8,25H,5,7,23H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide?
3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide has a molecular weight of 396.88 g/mol, XLogP of 3.66, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanehydrazide is sourced from PubChem (CID 10548805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).