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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine

C118H131FN30O6 — CID 164961854

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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine (PubChem CID 164961854) has the molecular formula C118H131FN30O6 and a molecular weight of 2084.55 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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
• PubChem CID: 164961854
• Molecular Formula: C118H131FN30O6
• Molecular Weight: 2084.55 g/mol
• Exact Mass: 2083.09
• 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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;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.CCC1(COc2cc(N)nc3cc(C4=CC=NC4)ccc23)COC1.CCCCNc1cc(N)nc2cc(-c3ccn[nH]3)c(F)cc12.CCCCNc1cc(N)nc2cc(-n3cccn3)ccc12.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/C19H21N3O2.C17H16N6.C17H20N4O.C17H19N3O2.C16H18FN5.C16H19N5.C16H18N4O/c1-2-19(10-23-11-19)12-24-17-8-18(20)22-16-7-13(3-4-15(16)17)14-5-6-21-9-14;18-17-9-15(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;1-2-3-7-18-14-11-16(17)20-15-10-12(5-6-13(14)15)21-9-4-8-19-21;1-10(21)8-19-14-7-16(17)20-15-6-11(2-3-13(14)15)12-4-5-18-9-12/h3-8H,2,9-12H2,1H3,(H2,20,22);1-9,19H,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);4-6,8-11H,2-3,7H2,1H3,(H3,17,18,20);2-7,10,21H,8-9H2,1H3,(H3,17,19,20)/t;;;13-;;;10-/m...1..1/s1
• InChIKey: BYFYJUKVVSNLCB-OJRDSEGOSA-N
• XLogP: 19.99
• TPSA: 561.31 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2084.55
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	33

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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine (CID 164961854) 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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;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.CCC1(COc2cc(N)nc3cc(C4=CC=NC4)ccc23)COC1.CCCCNc1cc(N)nc2cc(-c3ccn[nH]3)c(F)cc12.CCCCNc1cc(N)nc2cc(-n3cccn3)ccc12.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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?

The InChIKey is BYFYJUKVVSNLCB-OJRDSEGOSA-N. The full InChI is InChI=1S/C19H21N3O2.C17H16N6.C17H20N4O.C17H19N3O2.C16H18FN5.C16H19N5.C16H18N4O/c1-2-19(10-23-11-19)12-24-17-8-18(20)22-16-7-13(3-4-15(16)17)14-5-6-21-9-14;18-17-9-15(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;1-2-3-7-18-14-11-16(17)20-15-10-12(5-6-13(14)15)21-9-4-8-19-21;1-10(21)8-19-14-7-16(17)20-15-6-11(2-3-13(14)15)12-4-5-18-9-12/h3-8H,2,9-12H2,1H3,(H2,20,22);1-9,19H,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);4-6,8-11H,2-3,7H2,1H3,(H3,17,18,20);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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine has a molecular weight of 2084.55 g/mol, XLogP of 19.99, 32 rotatable bonds, 18 hydrogen bond donors, and 33 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;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine is sourced from PubChem (CID 164961854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).