methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate

C17H17NO4 — CID 101049424

IUPACmethyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate
SMILESCOC(=O)c1cc2c3ccc(OC)cc3n(C)c2cc1OC
InChIInChI=1S/C17H17NO4/c1-18-14-7-10(20-2)5-6-11(14)12-8-13(17(19)22-4)16(21-3)9-15(12)18/h5-9H,1-4H3
InChIKeyDEGNIKVFQHVXSN-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.14
Rot. Bonds3

About methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate

methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate (PubChem CID 101049424) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate
PubChem CID101049424
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate
SMILESCOC(=O)c1cc2c3ccc(OC)cc3n(C)c2cc1OC
InChIInChI=1S/C17H17NO4/c1-18-14-7-10(20-2)5-6-11(14)12-8-13(17(19)22-4)16(21-3)9-15(12)18/h5-9H,1-4H3
InChIKeyDEGNIKVFQHVXSN-UHFFFAOYSA-N
XLogP3.14
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-methoxy-4-methylfuro[3,2-b]indole-2-carboxylate
CID 132587331
methyl 3-formyl-6-methoxy-1-methylindole-2-carboxylate
CID 4777747
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
methyl 5,7-dimethoxy-1-methylindole-2-carboxylate
CID 102511974
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
3,7-dimethoxy-9-methylpyrido[3,4-b]indole
CID 90455764

Frequently Asked Questions

What is the IUPAC name of methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate?
The IUPAC name of methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate (CID 101049424) is methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate.
What is the SMILES notation for methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate?
The canonical SMILES for methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate is COC(=O)c1cc2c3ccc(OC)cc3n(C)c2cc1OC.
What is the InChIKey of methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate?
The InChIKey is DEGNIKVFQHVXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-18-14-7-10(20-2)5-6-11(14)12-8-13(17(19)22-4)16(21-3)9-15(12)18/h5-9H,1-4H3.
What are the key properties of methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate?
methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate is sourced from PubChem (CID 101049424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).