5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide

C14H17N3O2 — CID 81485613

IUPAC5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc3c(c2)NCCC3)CN1
InChIInChI=1S/C14H17N3O2/c18-13-6-10(8-16-13)14(19)17-11-4-3-9-2-1-5-15-12(9)7-11/h3-4,7,10,15H,1-2,5-6,8H2,(H,16,18)(H,17,19)
InChIKeyJPAMZMQQHBJXEE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.12
Rot. Bonds2

About 5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide

5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide (PubChem CID 81485613) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide
PubChem CID81485613
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc3c(c2)NCCC3)CN1
InChIInChI=1S/C14H17N3O2/c18-13-6-10(8-16-13)14(19)17-11-4-3-9-2-1-5-15-12(9)7-11/h3-4,7,10,15H,1-2,5-6,8H2,(H,16,18)(H,17,19)
InChIKeyJPAMZMQQHBJXEE-UHFFFAOYSA-N
XLogP1.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopropane-1-carboxamide
CID 63928713
(2R)-N-(1,2,3,4-tetrahydroquinolin-7-yl)oxolane-2-carboxamide
CID 104856288
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)cyclopentane-1-carboxamide
CID 107180778
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 63929364
N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide
CID 64767021
N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
CID 62633858
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide (CID 81485613) is 5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2ccc3c(c2)NCCC3)CN1.
What is the InChIKey of 5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide?
The InChIKey is JPAMZMQQHBJXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-6-10(8-16-13)14(19)17-11-4-3-9-2-1-5-15-12(9)7-11/h3-4,7,10,15H,1-2,5-6,8H2,(H,16,18)(H,17,19).
What are the key properties of 5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide?
5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 81485613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).