1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone

C29H29N5O — CID 160916995

IUPAC1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)C1CC1
InChIInChI=1S/C29H29N5O/c35-28(24-7-8-24)16-21-3-5-23(6-4-21)25-9-10-26-27(17-25)32-29(19-31-26)34-14-12-33(13-15-34)20-22-2-1-11-30-18-22/h1-6,9-11,17-19,24H,7-8,12-16,20H2
InChIKeySRNNHTGQPXSPLW-UHFFFAOYSA-N
MW463.59 g/mol
LogP4.54
Rot. Bonds7

About 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone

1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone (PubChem CID 160916995) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
PubChem CID160916995
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC Name1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)C1CC1
InChIInChI=1S/C29H29N5O/c35-28(24-7-8-24)16-21-3-5-23(6-4-21)25-9-10-26-27(17-25)32-29(19-31-26)34-14-12-33(13-15-34)20-22-2-1-11-30-18-22/h1-6,9-11,17-19,24H,7-8,12-16,20H2
InChIKeySRNNHTGQPXSPLW-UHFFFAOYSA-N
XLogP4.54
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone with MolForge

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Related Compounds

1-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]hex-5-yn-2-one
CID 153148663
1-(3-fluorophenyl)-3-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propan-2-one
CID 149146623
2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-1-thiophen-3-ylethanone
CID 159308184
3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
CID 67035302
1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 152895241
1-methyl-1-phenyl-3-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]urea
CID 67034956
1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 159328346
2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide
CID 67035407
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide
CID 67035150
2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide
CID 159130165
1-[4-(dimethylamino)phenyl]-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 157464006

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone (CID 160916995) is 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone is O=C(Cc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone?
The InChIKey is SRNNHTGQPXSPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O/c35-28(24-7-8-24)16-21-3-5-23(6-4-21)25-9-10-26-27(17-25)32-29(19-31-26)34-14-12-33(13-15-34)20-22-2-1-11-30-18-22/h1-6,9-11,17-19,24H,7-8,12-16,20H2.
What are the key properties of 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone?
1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone has a molecular weight of 463.59 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone is sourced from PubChem (CID 160916995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).