methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate

C23H21N3O5S — CID 66604846

IUPACmethyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cc(S(=O)(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H21N3O5S/c1-30-23(27)18-14-19(15-5-3-2-4-6-15)24-21-17-8-7-16(13-20(17)25-22(18)21)32(28,29)26-9-11-31-12-10-26/h2-8,13-14,25H,9-12H2,1H3
InChIKeyMVHJTYOFPCSESY-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.19
Rot. Bonds4

About methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate

methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate (PubChem CID 66604846) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate
PubChem CID66604846
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Namemethyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cc(S(=O)(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H21N3O5S/c1-30-23(27)18-14-19(15-5-3-2-4-6-15)24-21-17-8-7-16(13-20(17)25-22(18)21)32(28,29)26-9-11-31-12-10-26/h2-8,13-14,25H,9-12H2,1H3
InChIKeyMVHJTYOFPCSESY-UHFFFAOYSA-N
XLogP3.19
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate with MolForge

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Related Compounds

7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604540
2-bromo-7-morpholin-4-ylsulfonyl-5H-pyrido[3,2-b]indole-4-carboxylic acid
CID 87071639
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66605654
N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide
CID 68753917
methyl 2-(4-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylate
CID 103597300
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 4663146
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4638958
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23905521
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
CID 68873927

Frequently Asked Questions

What is the IUPAC name of methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The IUPAC name of methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate (CID 66604846) is methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate.
What is the SMILES notation for methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The canonical SMILES for methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate is COC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cc(S(=O)(=O)N3CCOCC3)ccc12.
What is the InChIKey of methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The InChIKey is MVHJTYOFPCSESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-30-23(27)18-14-19(15-5-3-2-4-6-15)24-21-17-8-7-16(13-20(17)25-22(18)21)32(28,29)26-9-11-31-12-10-26/h2-8,13-14,25H,9-12H2,1H3.
What are the key properties of methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate?
methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate has a molecular weight of 451.50 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate is sourced from PubChem (CID 66604846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).