1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one

C28H29N5O2 — CID 50838535

IUPAC1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one
SMILESCC(C)Cn1c(=O)c(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)nc2ccccc21
InChIInChI=1S/C28H29N5O2/c1-20(2)19-33-24-8-4-3-7-23(24)30-26(28(33)35)21-10-12-22(13-11-21)27(34)32-17-15-31(16-18-32)25-9-5-6-14-29-25/h3-14,20H,15-19H2,1-2H3
InChIKeyHUZCNMMMLQCOMA-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.08
Rot. Bonds5

About 1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one

1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one (PubChem CID 50838535) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one
PubChem CID50838535
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one
SMILESCC(C)Cn1c(=O)c(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)nc2ccccc21
InChIInChI=1S/C28H29N5O2/c1-20(2)19-33-24-8-4-3-7-23(24)30-26(28(33)35)21-10-12-22(13-11-21)27(34)32-17-15-31(16-18-32)25-9-5-6-14-29-25/h3-14,20H,15-19H2,1-2H3
InChIKeyHUZCNMMMLQCOMA-UHFFFAOYSA-N
XLogP4.08
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one
CID 50838544
ethyl 1-[4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzoyl]piperidine-4-carboxylate
CID 50838501
N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide
CID 92898885
3-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1-ethylquinoxalin-2-one
CID 46395214
2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194727
3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
CID 53131556
4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 50838551
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194693
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
(4-pyridin-2-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 22432629

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one (CID 50838535) is 1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one is CC(C)Cn1c(=O)c(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)nc2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one?
The InChIKey is HUZCNMMMLQCOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-20(2)19-33-24-8-4-3-7-23(24)30-26(28(33)35)21-10-12-22(13-11-21)27(34)32-17-15-31(16-18-32)25-9-5-6-14-29-25/h3-14,20H,15-19H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one?
1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one has a molecular weight of 467.57 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one is sourced from PubChem (CID 50838535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).