1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide

C16H20N4O3 — CID 78897376

IUPAC1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C16H20N4O3/c17-16(23)12-3-1-5-13-11(12)4-2-7-19(13)10-15(22)20-8-6-18-14(21)9-20/h1,3,5H,2,4,6-10H2,(H2,17,23)(H,18,21)
InChIKeyRVFLVZDKYPTEHO-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.50
Rot. Bonds3

About 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 78897376) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID78897376
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C16H20N4O3/c17-16(23)12-3-1-5-13-11(12)4-2-7-19(13)10-15(22)20-8-6-18-14(21)9-20/h1,3,5H,2,4,6-10H2,(H2,17,23)(H,18,21)
InChIKeyRVFLVZDKYPTEHO-UHFFFAOYSA-N
XLogP-0.50
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide (CID 78897376) is 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide is NC(=O)c1cccc2c1CCCN2CC(=O)N1CCNC(=O)C1.
What is the InChIKey of 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is RVFLVZDKYPTEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-16(23)12-3-1-5-13-11(12)4-2-7-19(13)10-15(22)20-8-6-18-14(21)9-20/h1,3,5H,2,4,6-10H2,(H2,17,23)(H,18,21).
What are the key properties of 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 78897376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).