(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-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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

C90H103N19O3 — CID 161214668

About (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-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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 161214668) has the molecular formula C90H103N19O3 and a molecular weight of 1498.94 g/mol. Its IUPAC name is (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-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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: 161214668
• Molecular Formula: C90H103N19O3
• Molecular Weight: 1498.94 g/mol
• Exact Mass: 1497.85
• IUPAC Name: (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-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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: CC[C@@H](O)COc1cc(N)nc2cc(C3=CC=NC3)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]1CCC[C@H]1Nc1cc(N)nc2cc(C3=CC=NC3)ccc12.C[C@H]1CC[C@@H](Nc2cc(N)nc3cc(C4=CC=NC4)ccc23)C1
• InChI: InChI=1S/3C19H22N4.C17H19N3O2.C16H18N4O/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;1-12-3-2-4-16(12)22-18-10-19(20)23-17-9-13(5-6-15(17)18)14-7-8-21-11-14;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;1-10(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);5-10,12,16H,2-4,11H2,1H3,(H3,20,22,23);3-8,13,21H,2,9-10H2,1H3,(H2,18,20);2-7,10,21H,8-9H2,1H3,(H3,17,19,20)/t12-,15+;12-,15-;12-,16+;13-;10-/m01011/s1
• InChIKey: UWRSHNODPYFZNA-ZYTQMONASA-N
• XLogP: 16.17
• TPSA: 354.16 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1498.94
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

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;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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 161214668) is (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-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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 CC[C@@H](O)COc1cc(N)nc2cc(C3=CC=NC3)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]1CCC[C@H]1Nc1cc(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;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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 UWRSHNODPYFZNA-ZYTQMONASA-N. The full InChI is InChI=1S/3C19H22N4.C17H19N3O2.C16H18N4O/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;1-12-3-2-4-16(12)22-18-10-19(20)23-17-9-13(5-6-15(17)18)14-7-8-21-11-14;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;1-10(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);5-10,12,16H,2-4,11H2,1H3,(H3,20,22,23);3-8,13,21H,2,9-10H2,1H3,(H2,18,20);2-7,10,21H,8-9H2,1H3,(H3,17,19,20)/t12-,15+;12-,15-;12-,16+;13-;10-/m01011/s1.

What are the key properties of (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-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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 1498.94 g/mol, XLogP of 16.17, 18 rotatable bonds, 11 hydrogen bond donors, and 22 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;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;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 161214668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).