(5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate

C24H22N2O6 — CID 10961043

IUPAC(5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate
SMILESCCn1c2ccc(OC(C)=O)cc2c2c(OC(C)=O)c3c(C)ccnc3c(OC(C)=O)c21
InChIInChI=1S/C24H22N2O6/c1-6-26-18-8-7-16(30-13(3)27)11-17(18)20-22(26)24(32-15(5)29)21-19(12(2)9-10-25-21)23(20)31-14(4)28/h7-11H,6H2,1-5H3
InChIKeyMVMMZLAXOKMAFK-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.45
Rot. Bonds4

About (5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate

(5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate (PubChem CID 10961043) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is (5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate.

Molecular Properties

Compound Name(5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate
PubChem CID10961043
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name(5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate
SMILESCCn1c2ccc(OC(C)=O)cc2c2c(OC(C)=O)c3c(C)ccnc3c(OC(C)=O)c21
InChIInChI=1S/C24H22N2O6/c1-6-26-18-8-7-16(30-13(3)27)11-17(18)20-22(26)24(32-15(5)29)21-19(12(2)9-10-25-21)23(20)31-14(4)28/h7-11H,6H2,1-5H3
InChIKeyMVMMZLAXOKMAFK-UHFFFAOYSA-N
XLogP4.45
TPSA96.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-acetyloxy-3-chloro-1-ethylindol-2-yl)phenyl] acetate
CID 10022132
(9-ethylcarbazol-2-yl) acetate;N-ethylethanamine
CID 89346724
(6-acetyl-9-propylcarbazol-3-yl) acetate;1-(6-hydroxy-9-propylcarbazol-3-yl)ethanone
CID 157387035
(1-ethylindol-5-yl) acetate
CID 57170525
2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163
(3-amino-4-methylphenyl) acetate
CID 66838768
(4-butoxy-3,5-dimethylphenyl) acetate
CID 91036893
(4-methylquinazolin-6-yl) acetate
CID 163492929
[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846404
[4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate
CID 156846403
[3-bromo-2-(4-methoxy-2-methylphenyl)indazol-5-yl] acetate
CID 150177461
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138

Frequently Asked Questions

What is the IUPAC name of (5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate?
The IUPAC name of (5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate (CID 10961043) is (5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate.
What is the SMILES notation for (5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate?
The canonical SMILES for (5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate is CCn1c2ccc(OC(C)=O)cc2c2c(OC(C)=O)c3c(C)ccnc3c(OC(C)=O)c21.
What is the InChIKey of (5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate?
The InChIKey is MVMMZLAXOKMAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-6-26-18-8-7-16(30-13(3)27)11-17(18)20-22(26)24(32-15(5)29)21-19(12(2)9-10-25-21)23(20)31-14(4)28/h7-11H,6H2,1-5H3.
What are the key properties of (5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate?
(5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate has a molecular weight of 434.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5,11-diacetyloxy-10-ethyl-4-methylpyrido[2,3-b]carbazol-7-yl) acetate is sourced from PubChem (CID 10961043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).