1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide

C16H19N3O — CID 63931240

IUPAC1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C16H19N3O/c1-2-19-10-4-6-15(19)16(20)18-13-8-7-12-5-3-9-17-14(12)11-13/h4,6-8,10-11,17H,2-3,5,9H2,1H3,(H,18,20)
InChIKeySUTIUKHSEZXXBC-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.12
Rot. Bonds3

About 1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide

1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide (PubChem CID 63931240) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
PubChem CID63931240
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C16H19N3O/c1-2-19-10-4-6-15(19)16(20)18-13-8-7-12-5-3-9-17-14(12)11-13/h4,6-8,10-11,17H,2-3,5,9H2,1H3,(H,18,20)
InChIKeySUTIUKHSEZXXBC-UHFFFAOYSA-N
XLogP3.12
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide (CID 63931240) is 1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide is CCn1cccc1C(=O)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide?
The InChIKey is SUTIUKHSEZXXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19-10-4-6-15(19)16(20)18-13-8-7-12-5-3-9-17-14(12)11-13/h4,6-8,10-11,17H,2-3,5,9H2,1H3,(H,18,20).
What are the key properties of 1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide?
1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 63931240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).