(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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

C87H98N20O5 — CID 159871175

About (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

(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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (PubChem CID 159871175) has the molecular formula C87H98N20O5 and a molecular weight of 1503.88 g/mol. Its IUPAC name is (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine.

Molecular Properties

• Compound Name: (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
• PubChem CID: 159871175
• Molecular Formula: C87H98N20O5
• Molecular Weight: 1503.88 g/mol
• Exact Mass: 1502.80
• IUPAC Name: (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
• SMILES: 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.Nc1cc(NC2CCOC2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(N[C@@H]2CCCC[C@@H]2O)c2ccc(C3=CC=NC3)cc2n1
• InChI: InChI=1S/C19H22N4O.C19H21N3O2.C17H18N4O.C16H19N5.C16H18N4O/c20-19-10-17(22-15-3-1-2-4-18(15)24)14-6-5-12(9-16(14)23-19)13-7-8-21-11-13;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;18-17-8-16(20-13-4-6-22-10-13)14-2-1-11(7-15(14)21-17)12-3-5-19-9-12;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/h5-10,15,18,24H,1-4,11H2,(H3,20,22,23);3-8H,2,9-12H2,1H3,(H2,20,22);1-3,5,7-8,13H,4,6,9-10H2,(H3,18,20,21);4-6,8-11H,2-3,7H2,1H3,(H3,17,18,20);2-7,10,21H,8-9H2,1H3,(H3,17,19,20)/t15-,18+;;;;10-/m1...0/s1
• InChIKey: NSJBLWUQEBBPJL-ORHUWAHZSA-N
• XLogP: 13.87
• TPSA: 378.08 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1503.88
LogP ≤ 5	13.87
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

The IUPAC name of (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (CID 159871175) is (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine.

What is the SMILES notation for (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

The canonical SMILES for (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is 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.Nc1cc(NC2CCOC2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(N[C@@H]2CCCC[C@@H]2O)c2ccc(C3=CC=NC3)cc2n1.

What is the InChIKey of (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

The InChIKey is NSJBLWUQEBBPJL-ORHUWAHZSA-N. The full InChI is InChI=1S/C19H22N4O.C19H21N3O2.C17H18N4O.C16H19N5.C16H18N4O/c20-19-10-17(22-15-3-1-2-4-18(15)24)14-6-5-12(9-16(14)23-19)13-7-8-21-11-13;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;18-17-8-16(20-13-4-6-22-10-13)14-2-1-11(7-15(14)21-17)12-3-5-19-9-12;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/h5-10,15,18,24H,1-4,11H2,(H3,20,22,23);3-8H,2,9-12H2,1H3,(H2,20,22);1-3,5,7-8,13H,4,6,9-10H2,(H3,18,20,21);4-6,8-11H,2-3,7H2,1H3,(H3,17,18,20);2-7,10,21H,8-9H2,1H3,(H3,17,19,20)/t15-,18+;;;;10-/m1...0/s1.

What are the key properties of (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

(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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine has a molecular weight of 1503.88 g/mol, XLogP of 13.87, 20 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (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;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is sourced from PubChem (CID 159871175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).