1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one

C14H19N3O — CID 106253120

IUPAC1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one
SMILESCN1CCC(NC2CCCc3cccnc32)C1=O
InChIInChI=1S/C14H19N3O/c1-17-9-7-12(14(17)18)16-11-6-2-4-10-5-3-8-15-13(10)11/h3,5,8,11-12,16H,2,4,6-7,9H2,1H3
InChIKeyDNRYNVYITDJRAQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.28
Rot. Bonds2

About 1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one

1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one (PubChem CID 106253120) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one
PubChem CID106253120
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one
SMILESCN1CCC(NC2CCCc3cccnc32)C1=O
InChIInChI=1S/C14H19N3O/c1-17-9-7-12(14(17)18)16-11-6-2-4-10-5-3-8-15-13(10)11/h3,5,8,11-12,16H,2,4,6-7,9H2,1H3
InChIKeyDNRYNVYITDJRAQ-UHFFFAOYSA-N
XLogP1.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-(1-tert-butylpiperidin-4-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079166
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
5-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-1-methylpiperidin-2-one
CID 102773865
N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079351
N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079118
2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide
CID 112672973
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-cyclohex-3-en-1-yl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079008
N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
CID 165447452
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one (CID 106253120) is 1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one is CN1CCC(NC2CCCc3cccnc32)C1=O.
What is the InChIKey of 1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one?
The InChIKey is DNRYNVYITDJRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-9-7-12(14(17)18)16-11-6-2-4-10-5-3-8-15-13(10)11/h3,5,8,11-12,16H,2,4,6-7,9H2,1H3.
What are the key properties of 1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one?
1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 106253120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).