3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide

C26H32N4O2 — CID 91951168

IUPAC3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CCn2c(=O)c(N3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C26H32N4O2/c1-18(2)20-10-12-21(13-11-20)19(3)27-24(31)14-17-30-23-9-5-4-8-22(23)28-25(26(30)32)29-15-6-7-16-29/h4-5,8-13,18-19H,6-7,14-17H2,1-3H3,(H,27,31)
InChIKeyVVHKGJZRGLOJMU-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.39
Rot. Bonds7

About 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide

3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 91951168) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
PubChem CID91951168
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CCn2c(=O)c(N3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C26H32N4O2/c1-18(2)20-10-12-21(13-11-20)19(3)27-24(31)14-17-30-23-9-5-4-8-22(23)28-25(26(30)32)29-15-6-7-16-29/h4-5,8-13,18-19H,6-7,14-17H2,1-3H3,(H,27,31)
InChIKeyVVHKGJZRGLOJMU-UHFFFAOYSA-N
XLogP4.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951503
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 91951375
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide
CID 91951172
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951351
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46448670
N-(2-methoxyethyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951418
N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951489
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 91951223
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 91951482
N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951424

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide (CID 91951168) is 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide is CC(C)c1ccc(C(C)NC(=O)CCn2c(=O)c(N3CCCC3)nc3ccccc32)cc1.
What is the InChIKey of 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is VVHKGJZRGLOJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18(2)20-10-12-21(13-11-20)19(3)27-24(31)14-17-30-23-9-5-4-8-22(23)28-25(26(30)32)29-15-6-7-16-29/h4-5,8-13,18-19H,6-7,14-17H2,1-3H3,(H,27,31).
What are the key properties of 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 432.57 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 91951168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).