2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate

C16H17N3O2 — CID 12957536

IUPAC2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCN(C)CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C16H17N3O2/c1-19(2)7-8-21-16(20)14-9-12-11-5-3-4-6-13(11)18-15(12)10-17-14/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyUCFOKDMKJBQZMP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.43
Rot. Bonds4

About 2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate

2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 12957536) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID12957536
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCN(C)CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C16H17N3O2/c1-19(2)7-8-21-16(20)14-9-12-11-5-3-4-6-13(11)18-15(12)10-17-14/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyUCFOKDMKJBQZMP-UHFFFAOYSA-N
XLogP2.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Abecarnil
CID 65914
Ethyl 4-(methoxymethyl)-6-(phenylmethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 121926
Propyl beta-carboline-3-carboxylate
CID 123662
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 115210
9H-Pyrido(3,4-b)indole-3-carboxylic acid
CID 173262
SB 203186
CID 3272300
Harman-3-Carboxylic Acid
CID 5406157
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-
CID 5488588
Ethyl indole-2-carboxylate
CID 73125

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate (CID 12957536) is 2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate is CN(C)CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of 2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is UCFOKDMKJBQZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(2)7-8-21-16(20)14-9-12-11-5-3-4-6-13(11)18-15(12)10-17-14/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate?
2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 12957536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).