2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide

C16H20N4O3 — CID 138042901

IUPAC2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CN(CCNC(=O)c2ccc3c(c2)CCC(=O)N3)CCN1
InChIInChI=1S/C16H20N4O3/c21-14-4-2-11-9-12(1-3-13(11)19-14)16(23)18-6-8-20-7-5-17-15(22)10-20/h1,3,9H,2,4-8,10H2,(H,17,22)(H,18,23)(H,19,21)
InChIKeyMKFYLJHYTTUOCR-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.27
Rot. Bonds4

About 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide

2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 138042901) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID138042901
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CN(CCNC(=O)c2ccc3c(c2)CCC(=O)N3)CCN1
InChIInChI=1S/C16H20N4O3/c21-14-4-2-11-9-12(1-3-13(11)19-14)16(23)18-6-8-20-7-5-17-15(22)10-20/h1,3,9H,2,4-8,10H2,(H,17,22)(H,18,23)(H,19,21)
InChIKeyMKFYLJHYTTUOCR-UHFFFAOYSA-N
XLogP-0.27
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119391883
N-[3-(azepan-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911974
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46410385
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-[2-(cycloheptylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 119619891
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18107678
N-(4-methylpiperidin-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102711737
N-(3-hydroxypropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797707
2-oxo-N-[(3S)-piperidin-3-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103866615
3-oxo-N-(2-piperazin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119444793

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide (CID 138042901) is 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CN(CCNC(=O)c2ccc3c(c2)CCC(=O)N3)CCN1.
What is the InChIKey of 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is MKFYLJHYTTUOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-14-4-2-11-9-12(1-3-13(11)19-14)16(23)18-6-8-20-7-5-17-15(22)10-20/h1,3,9H,2,4-8,10H2,(H,17,22)(H,18,23)(H,19,21).
What are the key properties of 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 316.36 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 138042901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).