N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione

C60H60N10O6 — CID 165008391

About N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione

N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione (PubChem CID 165008391) has the molecular formula C60H60N10O6 and a molecular weight of 1017.20 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione
• PubChem CID: 165008391
• Molecular Formula: C60H60N10O6
• Molecular Weight: 1017.20 g/mol
• Exact Mass: 1016.47
• IUPAC Name: N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione
• SMILES: C=CCn1ccc(-c2cnc3ccc(N(CC4CC4)c4cc(OC)cc(OC)c4)cc3n2)c1.CCCn1cc(-c2cnc3ccc(N(CCCN4C(=O)c5ccccc5C4=O)c4cc(OC)cc(OC)c4)cc3n2)cn1
• InChI: InChI=1S/C33H32N6O4.C27H28N4O2/c1-4-12-37-21-22(19-35-37)31-20-34-29-11-10-23(17-30(29)36-31)38(24-15-25(42-2)18-26(16-24)43-3)13-7-14-39-32(40)27-8-5-6-9-28(27)33(39)41;1-4-10-30-11-9-20(18-30)27-16-28-25-8-7-21(14-26(25)29-27)31(17-19-5-6-19)22-12-23(32-2)15-24(13-22)33-3/h5-6,8-11,15-21H,4,7,12-14H2,1-3H3;4,7-9,11-16,18-19H,1,5-6,10,17H2,2-3H3
• InChIKey: JHXPCRKVBDSEQS-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 155.09 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.20
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione?

The IUPAC name of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione (CID 165008391) is N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione.

What is the SMILES notation for N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione?

The canonical SMILES for N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione is C=CCn1ccc(-c2cnc3ccc(N(CC4CC4)c4cc(OC)cc(OC)c4)cc3n2)c1.CCCn1cc(-c2cnc3ccc(N(CCCN4C(=O)c5ccccc5C4=O)c4cc(OC)cc(OC)c4)cc3n2)cn1.

What is the InChIKey of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione?

The InChIKey is JHXPCRKVBDSEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N6O4.C27H28N4O2/c1-4-12-37-21-22(19-35-37)31-20-34-29-11-10-23(17-30(29)36-31)38(24-15-25(42-2)18-26(16-24)43-3)13-7-14-39-32(40)27-8-5-6-9-28(27)33(39)41;1-4-10-30-11-9-20(18-30)27-16-28-25-8-7-21(14-26(25)29-27)31(17-19-5-6-19)22-12-23(32-2)15-24(13-22)33-3/h5-6,8-11,15-21H,4,7,12-14H2,1-3H3;4,7-9,11-16,18-19H,1,5-6,10,17H2,2-3H3.

What are the key properties of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione?

N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione has a molecular weight of 1017.20 g/mol, XLogP of 11.59, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-prop-2-enylpyrrol-3-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione is sourced from PubChem (CID 165008391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).