2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide

C18H21N3O — CID 126812823

IUPAC2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc2c(n1)CCCC2)c1cc[nH]c1C1CC1
InChIInChI=1S/C18H21N3O/c22-18(15-9-10-19-17(15)13-5-6-13)20-11-14-8-7-12-3-1-2-4-16(12)21-14/h7-10,13,19H,1-6,11H2,(H,20,22)
InChIKeyQRMJYPTZLXOGSH-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.10
Rot. Bonds4

About 2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide

2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide (PubChem CID 126812823) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide
PubChem CID126812823
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc2c(n1)CCCC2)c1cc[nH]c1C1CC1
InChIInChI=1S/C18H21N3O/c22-18(15-9-10-19-17(15)13-5-6-13)20-11-14-8-7-12-3-1-2-4-16(12)21-14/h7-10,13,19H,1-6,11H2,(H,20,22)
InChIKeyQRMJYPTZLXOGSH-UHFFFAOYSA-N
XLogP3.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide (CID 126812823) is 2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide is O=C(NCc1ccc2c(n1)CCCC2)c1cc[nH]c1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is QRMJYPTZLXOGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(15-9-10-19-17(15)13-5-6-13)20-11-14-8-7-12-3-1-2-4-16(12)21-14/h7-10,13,19H,1-6,11H2,(H,20,22).
What are the key properties of 2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide?
2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 126812823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).