N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide

C14H19N3O2 — CID 134078461

IUPACN-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCc2[nH]c(=O)ccc2C1)N1CCCC1
InChIInChI=1S/C14H19N3O2/c18-13-6-3-10-9-11(4-5-12(10)16-13)15-14(19)17-7-1-2-8-17/h3,6,11H,1-2,4-5,7-9H2,(H,15,19)(H,16,18)
InChIKeyJHNTWRDRTYDCJO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.04
Rot. Bonds1

About N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide

N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide (PubChem CID 134078461) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide
PubChem CID134078461
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCc2[nH]c(=O)ccc2C1)N1CCCC1
InChIInChI=1S/C14H19N3O2/c18-13-6-3-10-9-11(4-5-12(10)16-13)15-14(19)17-7-1-2-8-17/h3,6,11H,1-2,4-5,7-9H2,(H,15,19)(H,16,18)
InChIKeyJHNTWRDRTYDCJO-UHFFFAOYSA-N
XLogP1.04
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide (CID 134078461) is N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide is O=C(NC1CCc2[nH]c(=O)ccc2C1)N1CCCC1.
What is the InChIKey of N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide?
The InChIKey is JHNTWRDRTYDCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13-6-3-10-9-11(4-5-12(10)16-13)15-14(19)17-7-1-2-8-17/h3,6,11H,1-2,4-5,7-9H2,(H,15,19)(H,16,18).
What are the key properties of N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide?
N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 134078461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).