(7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate

C20H16ClN3O3 — CID 67213272

IUPAC(7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate
SMILESCCOC(=O)Oc1nc(-c2ccccc2)nc2c1c1ccc(Cl)cc1n2C
InChIInChI=1S/C20H16ClN3O3/c1-3-26-20(25)27-19-16-14-10-9-13(21)11-15(14)24(2)18(16)22-17(23-19)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyUNVUUSZAXFNLBC-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.98
Rot. Bonds3

About (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate

(7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate (PubChem CID 67213272) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate.

Molecular Properties

Compound Name(7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate
PubChem CID67213272
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name(7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate
SMILESCCOC(=O)Oc1nc(-c2ccccc2)nc2c1c1ccc(Cl)cc1n2C
InChIInChI=1S/C20H16ClN3O3/c1-3-26-20(25)27-19-16-14-10-9-13(21)11-15(14)24(2)18(16)22-17(23-19)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyUNVUUSZAXFNLBC-UHFFFAOYSA-N
XLogP4.98
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indole
CID 87312038
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
CID 7746589
ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate
CID 13180324
methyl 4-(4-chloro-9-methylpyrimido[4,5-b]indol-2-yl)benzoate
CID 87827390
6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid
CID 82279624
[4-(2,5-dimethylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate
CID 69385130
7-chloro-N,N,9-trimethyl-2-(5,6,7,8-tetrahydroquinolin-3-yl)pyrimido[4,5-b]indole-4-carboxamide
CID 11957078
ethyl 7-chloro-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxylate
CID 54725308
ethyl 2-(2-aminoethyl)-5-chloro-3-phenylisoindole-1-carboxylate;hydrobromide
CID 70621110
ethyl N-(5-chloro-1-methyl-3-phenylindol-2-yl)carbamate
CID 21387993
ethyl 4-[2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetyl]piperazine-1-carboxylate
CID 16800716
ethyl (1-methylindol-2-yl) carbonate
CID 67809061

Frequently Asked Questions

What is the IUPAC name of (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate?
The IUPAC name of (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate (CID 67213272) is (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate.
What is the SMILES notation for (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate?
The canonical SMILES for (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate is CCOC(=O)Oc1nc(-c2ccccc2)nc2c1c1ccc(Cl)cc1n2C.
What is the InChIKey of (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate?
The InChIKey is UNVUUSZAXFNLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-3-26-20(25)27-19-16-14-10-9-13(21)11-15(14)24(2)18(16)22-17(23-19)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3.
What are the key properties of (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate?
(7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate has a molecular weight of 381.82 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate is sourced from PubChem (CID 67213272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).