2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine

C91H102F6N26O2 — CID 158414722

About 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine

2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine (PubChem CID 158414722) has the molecular formula C91H102F6N26O2 and a molecular weight of 1705.98 g/mol. Its IUPAC name is 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine.

Molecular Properties

• Compound Name: 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine
• PubChem CID: 158414722
• Molecular Formula: C91H102F6N26O2
• Molecular Weight: 1705.98 g/mol
• Exact Mass: 1704.86
• IUPAC Name: 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine
• SMILES: C.C.C.C.C.Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCC(F)(F)F)cc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCC(F)F)cc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCCF)cc12.Nc1nc2cc(C3=CC=NC3)ccc2c2[nH]c(CCCO)cc12.Nc1nc2cc(C3=CC=NC3)ccc2c2[nH]c(CCO)cc12
• InChI: InChI=1S/C18H18N4O.C17H15F3N6.C17H16F2N6.C17H17FN6.C17H16N4O.5CH4/c19-18-15-9-13(2-1-7-23)21-17(15)14-4-3-11(8-16(14)22-18)12-5-6-20-10-12;18-17(19,20)8-22-7-10-6-12-15(24-10)11-2-1-9(13-3-4-23-26-13)5-14(11)25-16(12)21;18-15(19)8-21-7-10-6-12-16(23-10)11-2-1-9(13-3-4-22-25-13)5-14(11)24-17(12)20;18-4-6-20-9-11-8-13-16(22-11)12-2-1-10(14-3-5-21-24-14)7-15(12)23-17(13)19;18-17-14-8-12(4-6-22)20-16(14)13-2-1-10(7-15(13)21-17)11-3-5-19-9-11;;;;;/h3-6,8-9,21,23H,1-2,7,10H2,(H2,19,22);1-6,22,24H,7-8H2,(H2,21,25)(H,23,26);1-6,15,21,23H,7-8H2,(H2,20,24)(H,22,25);1-3,5,7-8,20,22H,4,6,9H2,(H2,19,23)(H,21,24);1-3,5,7-8,20,22H,4,6,9H2,(H2,18,21);5*1H4
• InChIKey: GZTAJYMOYKPNCP-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 460.81 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1705.98
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine?

The IUPAC name of 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine (CID 158414722) is 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine.

What is the SMILES notation for 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine?

The canonical SMILES for 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine is C.C.C.C.C.Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCC(F)(F)F)cc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCC(F)F)cc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCCF)cc12.Nc1nc2cc(C3=CC=NC3)ccc2c2[nH]c(CCCO)cc12.Nc1nc2cc(C3=CC=NC3)ccc2c2[nH]c(CCO)cc12.

What is the InChIKey of 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine?

The InChIKey is GZTAJYMOYKPNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O.C17H15F3N6.C17H16F2N6.C17H17FN6.C17H16N4O.5CH4/c19-18-15-9-13(2-1-7-23)21-17(15)14-4-3-11(8-16(14)22-18)12-5-6-20-10-12;18-17(19,20)8-22-7-10-6-12-15(24-10)11-2-1-9(13-3-4-23-26-13)5-14(11)25-16(12)21;18-15(19)8-21-7-10-6-12-16(23-10)11-2-1-9(13-3-4-22-25-13)5-14(11)24-17(12)20;18-4-6-20-9-11-8-13-16(22-11)12-2-1-10(14-3-5-21-24-14)7-15(12)23-17(13)19;18-17-14-8-12(4-6-22)20-16(14)13-2-1-10(7-15(13)21-17)11-3-5-19-9-11;;;;;/h3-6,8-9,21,23H,1-2,7,10H2,(H2,19,22);1-6,22,24H,7-8H2,(H2,21,25)(H,23,26);1-6,15,21,23H,7-8H2,(H2,20,24)(H,22,25);1-3,5,7-8,20,22H,4,6,9H2,(H2,19,23)(H,21,24);1-3,5,7-8,20,22H,4,6,9H2,(H2,18,21);5*1H4.

What are the key properties of 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine?

2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine has a molecular weight of 1705.98 g/mol, XLogP of 17.30, 21 rotatable bonds, 18 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine is sourced from PubChem (CID 158414722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).