N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide

C19H24N2O — CID 141104102

IUPACN-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN2CC=c3ccccc3=C12
InChIInChI=1S/C19H24N2O/c22-19(20-15-7-2-1-3-8-15)17-11-13-21-12-10-14-6-4-5-9-16(14)18(17)21/h4-6,9-10,15,17H,1-3,7-8,11-13H2,(H,20,22)
InChIKeyWTWYKCMWQQWAQT-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.36
Rot. Bonds2

About N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide

N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide (PubChem CID 141104102) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
PubChem CID141104102
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN2CC=c3ccccc3=C12
InChIInChI=1S/C19H24N2O/c22-19(20-15-7-2-1-3-8-15)17-11-13-21-12-10-14-6-4-5-9-16(14)18(17)21/h4-6,9-10,15,17H,1-3,7-8,11-13H2,(H,20,22)
InChIKeyWTWYKCMWQQWAQT-UHFFFAOYSA-N
XLogP1.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The IUPAC name of N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide (CID 141104102) is N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide is O=C(NC1CCCCC1)C1CCN2CC=c3ccccc3=C12.
What is the InChIKey of N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The InChIKey is WTWYKCMWQQWAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-19(20-15-7-2-1-3-8-15)17-11-13-21-12-10-14-6-4-5-9-16(14)18(17)21/h4-6,9-10,15,17H,1-3,7-8,11-13H2,(H,20,22).
What are the key properties of N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide is sourced from PubChem (CID 141104102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).