CJZPJDIFEAAYBW-AWEZNQCLSA-N

Name: CJZPJDIFEAAYBW-AWEZNQCLSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₃₀N₆O₄ — CID 118080517

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACpropan-2-yl (3S)-4-acetyl-7-(1-cyclopropylpyrazol-4-yl)-3-methyl-6-(methylcarbamoylamino)-2,3-dihydroquinoxaline-1-carboxylate

SMILESCNC(=O)Nc1cc2c(cc1-c1cnn(C3CC3)c1)N(C(=O)OC(C)C)C[C@H](C)N2C(C)=O

InChIInChI=1S/C23H30N6O4/c1-13(2)33-23(32)27-11-14(3)29(15(4)30)21-9-19(26-22(31)24-5)18(8-20(21)27)16-10-25-28(12-16)17-6-7-17/h8-10,12-14,17H,6-7,11H2,1-5H3,(H2,24,26,31)/t14-/m0/s1

InChIKeyCJZPJDIFEAAYBW-AWEZNQCLSA-N

MW454.53 g/mol

LogP3.74

Rot. Bonds4

About CJZPJDIFEAAYBW-AWEZNQCLSA-N

CJZPJDIFEAAYBW-AWEZNQCLSA-N (PubChem CID 118080517) has the molecular formula C₂₃H₃₀N₆O₄ and a molecular weight of 454.53 g/mol. Its IUPAC name is propan-2-yl (3S)-4-acetyl-7-(1-cyclopropylpyrazol-4-yl)-3-methyl-6-(methylcarbamoylamino)-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Name	CJZPJDIFEAAYBW-AWEZNQCLSA-N
PubChem CID	118080517
Molecular Formula	C₂₃H₃₀N₆O₄
Molecular Weight	454.53 g/mol
Exact Mass	454.23
IUPAC Name	propan-2-yl (3S)-4-acetyl-7-(1-cyclopropylpyrazol-4-yl)-3-methyl-6-(methylcarbamoylamino)-2,3-dihydroquinoxaline-1-carboxylate
SMILES	CNC(=O)Nc1cc2c(cc1-c1cnn(C3CC3)c1)N(C(=O)OC(C)C)C[C@H](C)N2C(C)=O
InChI	InChI=1S/C23H30N6O4/c1-13(2)33-23(32)27-11-14(3)29(15(4)30)21-9-19(26-22(31)24-5)18(8-20(21)27)16-10-25-28(12-16)17-6-7-17/h8-10,12-14,17H,6-7,11H2,1-5H3,(H2,24,26,31)/t14-/m0/s1
InChIKey	CJZPJDIFEAAYBW-AWEZNQCLSA-N
XLogP	3.74
TPSA	108.80 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of CJZPJDIFEAAYBW-AWEZNQCLSA-N?

The IUPAC name of CJZPJDIFEAAYBW-AWEZNQCLSA-N (CID 118080517) is propan-2-yl (3S)-4-acetyl-7-(1-cyclopropylpyrazol-4-yl)-3-methyl-6-(methylcarbamoylamino)-2,3-dihydroquinoxaline-1-carboxylate.

What is the SMILES notation for CJZPJDIFEAAYBW-AWEZNQCLSA-N?

The canonical SMILES for CJZPJDIFEAAYBW-AWEZNQCLSA-N is CNC(=O)Nc1cc2c(cc1-c1cnn(C3CC3)c1)N(C(=O)OC(C)C)C[C@H](C)N2C(C)=O.

What is the InChIKey of CJZPJDIFEAAYBW-AWEZNQCLSA-N?

The InChIKey is CJZPJDIFEAAYBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H30N6O4/c1-13(2)33-23(32)27-11-14(3)29(15(4)30)21-9-19(26-22(31)24-5)18(8-20(21)27)16-10-25-28(12-16)17-6-7-17/h8-10,12-14,17H,6-7,11H2,1-5H3,(H2,24,26,31)/t14-/m0/s1.

What are the key properties of CJZPJDIFEAAYBW-AWEZNQCLSA-N?

CJZPJDIFEAAYBW-AWEZNQCLSA-N has a molecular weight of 454.53 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CJZPJDIFEAAYBW-AWEZNQCLSA-N is sourced from PubChem (CID 118080517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118080517 — identifiers, structure, computed properties (public domain)

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