1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide

C16H19N3O — CID 63928927

IUPAC1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)NCCC3)n1C
InChIInChI=1S/C16H19N3O/c1-11-5-8-15(19(11)2)16(20)18-13-7-6-12-4-3-9-17-14(12)10-13/h5-8,10,17H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyYOHJLLOEBZKEPF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.94
Rot. Bonds2

About 1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide

1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide (PubChem CID 63928927) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
PubChem CID63928927
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)NCCC3)n1C
InChIInChI=1S/C16H19N3O/c1-11-5-8-15(19(11)2)16(20)18-13-7-6-12-4-3-9-17-14(12)10-13/h5-8,10,17H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyYOHJLLOEBZKEPF-UHFFFAOYSA-N
XLogP2.94
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
CID 63931240
1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide
CID 63931028
5-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-carboxamide
CID 63929153
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
1-methyl-5-nitro-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrole-2-carboxamide
CID 119547379
5-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxamide
CID 104639273
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-2-carboxamide
CID 63929977
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropane-1-carboxamide
CID 63928713
N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
CID 102922274
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
CID 66482233

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide (CID 63928927) is 1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide is Cc1ccc(C(=O)Nc2ccc3c(c2)NCCC3)n1C.
What is the InChIKey of 1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide?
The InChIKey is YOHJLLOEBZKEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-5-8-15(19(11)2)16(20)18-13-7-6-12-4-3-9-17-14(12)10-13/h5-8,10,17H,3-4,9H2,1-2H3,(H,18,20).
What are the key properties of 1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide?
1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 63928927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).