methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate

C15H15N3O2 — CID 69034348

IUPACmethyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate
SMILESCOC(=O)c1cc(N)c2c([nH]c3ncc(C)cc32)c1C
InChIInChI=1S/C15H15N3O2/c1-7-4-10-12-11(16)5-9(15(19)20-3)8(2)13(12)18-14(10)17-6-7/h4-6H,16H2,1-3H3,(H,17,18)
InChIKeyJNQDPBLNJLMOIA-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.70
Rot. Bonds1

About methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate

methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate (PubChem CID 69034348) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate
PubChem CID69034348
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namemethyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate
SMILESCOC(=O)c1cc(N)c2c([nH]c3ncc(C)cc32)c1C
InChIInChI=1S/C15H15N3O2/c1-7-4-10-12-11(16)5-9(15(19)20-3)8(2)13(12)18-14(10)17-6-7/h4-6H,16H2,1-3H3,(H,17,18)
InChIKeyJNQDPBLNJLMOIA-UHFFFAOYSA-N
XLogP2.70
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate?
The IUPAC name of methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate (CID 69034348) is methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate.
What is the SMILES notation for methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate?
The canonical SMILES for methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate is COC(=O)c1cc(N)c2c([nH]c3ncc(C)cc32)c1C.
What is the InChIKey of methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate?
The InChIKey is JNQDPBLNJLMOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-7-4-10-12-11(16)5-9(15(19)20-3)8(2)13(12)18-14(10)17-6-7/h4-6H,16H2,1-3H3,(H,17,18).
What are the key properties of methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate?
methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate is sourced from PubChem (CID 69034348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).