(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

C106H124N24O4 — CID 159709745

About (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (PubChem CID 159709745) has the molecular formula C106H124N24O4 and a molecular weight of 1798.32 g/mol. Its IUPAC name is (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine.

Molecular Properties

• Compound Name: (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
• PubChem CID: 159709745
• Molecular Formula: C106H124N24O4
• Molecular Weight: 1798.32 g/mol
• Exact Mass: 1797.02
• IUPAC Name: (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
• SMILES: C.CCC1(COc2cc(N)nc3cc(C4=CC=NC4)ccc23)COC1.CCCCNc1cc(N)nc2cc(-n3cccn3)ccc12.C[C@@H](O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.C[C@@H]1CC[C@@H](Nc2cc(N)nc3cc(C4=CC=NC4)ccc23)C1.C[C@H](O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.C[C@H]1CC[C@@H](Nc2cc(N)nc3cc(C4=CC=NC4)ccc23)C1
• InChI: InChI=1S/2C19H22N4.C19H21N3O2.C16H19N5.2C16H18N4O.CH4/c2*1-12-2-4-15(8-12)22-18-10-19(20)23-17-9-13(3-5-16(17)18)14-6-7-21-11-14;1-2-19(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;1-2-3-7-18-14-11-16(17)20-15-10-12(5-6-13(14)15)21-9-4-8-19-21;2*1-10(21)8-19-14-7-16(17)20-15-6-11(2-3-13(14)15)12-4-5-18-9-12;/h2*3,5-7,9-10,12,15H,2,4,8,11H2,1H3,(H3,20,22,23);3-8H,2,9-12H2,1H3,(H2,20,22);4-6,8-11H,2-3,7H2,1H3,(H3,17,18,20);2*2-7,10,21H,8-9H2,1H3,(H3,17,19,20);1H4/t12-,15+;12-,15-;;;2*10-;/m01..10./s1
• InChIKey: MYRGTOMTNXGZGL-NOEGEWEQSA-N
• XLogP: 18.87
• TPSA: 432.15 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1798.32
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

The IUPAC name of (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (CID 159709745) is (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine.

What is the SMILES notation for (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

The canonical SMILES for (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is C.CCC1(COc2cc(N)nc3cc(C4=CC=NC4)ccc23)COC1.CCCCNc1cc(N)nc2cc(-n3cccn3)ccc12.C[C@@H](O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.C[C@@H]1CC[C@@H](Nc2cc(N)nc3cc(C4=CC=NC4)ccc23)C1.C[C@H](O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.C[C@H]1CC[C@@H](Nc2cc(N)nc3cc(C4=CC=NC4)ccc23)C1.

What is the InChIKey of (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

The InChIKey is MYRGTOMTNXGZGL-NOEGEWEQSA-N. The full InChI is InChI=1S/2C19H22N4.C19H21N3O2.C16H19N5.2C16H18N4O.CH4/c2*1-12-2-4-15(8-12)22-18-10-19(20)23-17-9-13(3-5-16(17)18)14-6-7-21-11-14;1-2-19(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;1-2-3-7-18-14-11-16(17)20-15-10-12(5-6-13(14)15)21-9-4-8-19-21;2*1-10(21)8-19-14-7-16(17)20-15-6-11(2-3-13(14)15)12-4-5-18-9-12;/h2*3,5-7,9-10,12,15H,2,4,8,11H2,1H3,(H3,20,22,23);3-8H,2,9-12H2,1H3,(H2,20,22);4-6,8-11H,2-3,7H2,1H3,(H3,17,18,20);2*2-7,10,21H,8-9H2,1H3,(H3,17,19,20);1H4/t12-,15+;12-,15-;;;2*10-;/m01..10./s1.

What are the key properties of (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine has a molecular weight of 1798.32 g/mol, XLogP of 18.87, 24 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;methane;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is sourced from PubChem (CID 159709745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).