4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide

C14H14ClN3O — CID 114491042

IUPAC4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc2c1CNCC2)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H14ClN3O/c15-10-6-13(17-7-10)14(19)18-12-3-1-2-9-4-5-16-8-11(9)12/h1-3,6-7,16-17H,4-5,8H2,(H,18,19)
InChIKeyINRHIKNTKUVBBK-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.57
Rot. Bonds2

About 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide

4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide (PubChem CID 114491042) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
PubChem CID114491042
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc2c1CNCC2)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H14ClN3O/c15-10-6-13(17-7-10)14(19)18-12-3-1-2-9-4-5-16-8-11(9)12/h1-3,6-7,16-17H,4-5,8H2,(H,18,19)
InChIKeyINRHIKNTKUVBBK-UHFFFAOYSA-N
XLogP2.57
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491001
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide
CID 114491058
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823
3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114491033
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
CID 114490944
4-bromo-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490903
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-3-carboxamide
CID 114490943
5-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547994
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
4-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80548205
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
CID 103510823

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide (CID 114491042) is 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1cccc2c1CNCC2)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is INRHIKNTKUVBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-10-6-13(17-7-10)14(19)18-12-3-1-2-9-4-5-16-8-11(9)12/h1-3,6-7,16-17H,4-5,8H2,(H,18,19).
What are the key properties of 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 114491042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).