1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine

C83H91FN22O4 — CID 165037646

About 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine

1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine (PubChem CID 165037646) has the molecular formula C83H91FN22O4 and a molecular weight of 1479.79 g/mol. Its IUPAC name is 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine.

Molecular Properties

• Compound Name: 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
• PubChem CID: 165037646
• Molecular Formula: C83H91FN22O4
• Molecular Weight: 1479.79 g/mol
• Exact Mass: 1478.76
• IUPAC Name: 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
• SMILES: CC(C)(O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.CCCCNc1cc(N)nc2cc(-c3ccn[nH]3)c(F)cc12.CC[C@@H](O)COc1cc(N)nc2cc(C3=CC=NC3)ccc12.C[C@@H](O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.Nc1cc(NCc2ccc[nH]2)c2ccc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C17H16N6.C17H20N4O.C17H19N3O2.C16H18FN5.C16H18N4O/c18-17-9-15(20-10-12-2-1-6-19-12)13-4-3-11(8-16(13)22-17)14-5-7-21-23-14;1-17(2,22)10-20-14-8-16(18)21-15-7-11(3-4-13(14)15)12-5-6-19-9-12;1-2-13(21)10-22-16-8-17(18)20-15-7-11(3-4-14(15)16)12-5-6-19-9-12;1-2-3-5-19-14-9-16(18)21-15-8-10(12(17)7-11(14)15)13-4-6-20-22-13;1-10(21)8-19-14-7-16(17)20-15-6-11(2-3-13(14)15)12-4-5-18-9-12/h1-9,19H,10H2,(H,21,23)(H3,18,20,22);3-8,22H,9-10H2,1-2H3,(H3,18,20,21);3-8,13,21H,2,9-10H2,1H3,(H2,18,20);4,6-9H,2-3,5H2,1H3,(H,20,22)(H3,18,19,21);2-7,10,21H,8-9H2,1H3,(H3,17,19,20)/t;;13-;;10-/m..1.1/s1
• InChIKey: NQCDRWCBWGIIIL-YPLYUQJZSA-N
• XLogP: 13.69
• TPSA: 422.82 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1479.79
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?

The IUPAC name of 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine (CID 165037646) is 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine.

What is the SMILES notation for 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?

The canonical SMILES for 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine is CC(C)(O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.CCCCNc1cc(N)nc2cc(-c3ccn[nH]3)c(F)cc12.CC[C@@H](O)COc1cc(N)nc2cc(C3=CC=NC3)ccc12.C[C@@H](O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.Nc1cc(NCc2ccc[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?

The InChIKey is NQCDRWCBWGIIIL-YPLYUQJZSA-N. The full InChI is InChI=1S/C17H16N6.C17H20N4O.C17H19N3O2.C16H18FN5.C16H18N4O/c18-17-9-15(20-10-12-2-1-6-19-12)13-4-3-11(8-16(13)22-17)14-5-7-21-23-14;1-17(2,22)10-20-14-8-16(18)21-15-7-11(3-4-13(14)15)12-5-6-19-9-12;1-2-13(21)10-22-16-8-17(18)20-15-7-11(3-4-14(15)16)12-5-6-19-9-12;1-2-3-5-19-14-9-16(18)21-15-8-10(12(17)7-11(14)15)13-4-6-20-22-13;1-10(21)8-19-14-7-16(17)20-15-6-11(2-3-13(14)15)12-4-5-18-9-12/h1-9,19H,10H2,(H,21,23)(H3,18,20,22);3-8,22H,9-10H2,1-2H3,(H3,18,20,21);3-8,13,21H,2,9-10H2,1H3,(H2,18,20);4,6-9H,2-3,5H2,1H3,(H,20,22)(H3,18,19,21);2-7,10,21H,8-9H2,1H3,(H3,17,19,20)/t;;13-;;10-/m..1.1/s1.

What are the key properties of 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?

1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine has a molecular weight of 1479.79 g/mol, XLogP of 13.69, 22 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine is sourced from PubChem (CID 165037646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).