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

C30H32N6O — CID 67035302

IUPAC3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
SMILESO=C(CCC1CC1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1
InChIInChI=1S/C30H32N6O/c37-30(12-5-22-3-4-22)33-26-9-6-24(7-10-26)25-8-11-27-28(18-25)34-29(20-32-27)36-16-14-35(15-17-36)21-23-2-1-13-31-19-23/h1-2,6-11,13,18-20,22H,3-5,12,14-17,21H2,(H,33,37)
InChIKeyFLKRCJUUCJYKSJ-UHFFFAOYSA-N
MW492.63 g/mol
LogP5.14
Rot. Bonds8

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

3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide (PubChem CID 67035302) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
PubChem CID67035302
Molecular FormulaC30H32N6O
Molecular Weight492.63 g/mol
Exact Mass492.26
IUPAC Name3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
SMILESO=C(CCC1CC1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1
InChIInChI=1S/C30H32N6O/c37-30(12-5-22-3-4-22)33-26-9-6-24(7-10-26)25-8-11-27-28(18-25)34-29(20-32-27)36-16-14-35(15-17-36)21-23-2-1-13-31-19-23/h1-2,6-11,13,18-20,22H,3-5,12,14-17,21H2,(H,33,37)
InChIKeyFLKRCJUUCJYKSJ-UHFFFAOYSA-N
XLogP5.14
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide?
The IUPAC name of 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide (CID 67035302) is 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide?
The canonical SMILES for 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide is O=C(CCC1CC1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide?
The InChIKey is FLKRCJUUCJYKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O/c37-30(12-5-22-3-4-22)33-26-9-6-24(7-10-26)25-8-11-27-28(18-25)34-29(20-32-27)36-16-14-35(15-17-36)21-23-2-1-13-31-19-23/h1-2,6-11,13,18-20,22H,3-5,12,14-17,21H2,(H,33,37).
What are the key properties of 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide?
3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide has a molecular weight of 492.63 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide is sourced from PubChem (CID 67035302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).