(2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

C22H35N5O2 — CID 92695881

IUPAC(2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CC(C)C)N3)CC1
InChIInChI=1S/C22H35N5O2/c1-4-26-10-12-27(13-11-26)9-5-8-23-21(28)17-6-7-18-19(15-17)25-22(29)20(24-18)14-16(2)3/h6-7,15-16,20,24H,4-5,8-14H2,1-3H3,(H,23,28)(H,25,29)/t20-/m1/s1
InChIKeyDVHDGKCNXRFNDV-HXUWFJFHSA-N
MW401.56 g/mol
LogP2.22
Rot. Bonds8

About (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

(2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 92695881) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID92695881
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name(2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CC(C)C)N3)CC1
InChIInChI=1S/C22H35N5O2/c1-4-26-10-12-27(13-11-26)9-5-8-23-21(28)17-6-7-18-19(15-17)25-22(29)20(24-18)14-16(2)3/h6-7,15-16,20,24H,4-5,8-14H2,1-3H3,(H,23,28)(H,25,29)/t20-/m1/s1
InChIKeyDVHDGKCNXRFNDV-HXUWFJFHSA-N
XLogP2.22
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-butan-2-yl-N-(3-morpholin-4-ylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 22427174
2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 22427152
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349932
N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide
CID 3616347
7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290502
2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 22427177
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
7-(4-ethylpiperazine-1-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 22427120
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 92695881) is (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is CCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CC(C)C)N3)CC1.
What is the InChIKey of (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is DVHDGKCNXRFNDV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-4-26-10-12-27(13-11-26)9-5-8-23-21(28)17-6-7-18-19(15-17)25-22(29)20(24-18)14-16(2)3/h6-7,15-16,20,24H,4-5,8-14H2,1-3H3,(H,23,28)(H,25,29)/t20-/m1/s1.
What are the key properties of (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
(2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 401.56 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 92695881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).