(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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine

C106H119FN26O2 — CID 162208000

About (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine

(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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine (PubChem CID 162208000) has the molecular formula C106H119FN26O2 and a molecular weight of 1808.30 g/mol. Its IUPAC name is (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine.

Molecular Properties

• Compound Name: (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
• PubChem CID: 162208000
• Molecular Formula: C106H119FN26O2
• Molecular Weight: 1808.30 g/mol
• Exact Mass: 1807.00
• IUPAC Name: (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
• SMILES: CC(C)(C)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]1CCC[C@H]1Nc1cc(N)nc2cc(C3=CC=NC3)ccc12.C[C@H]1CC[C@H](Nc2cc(N)nc3cc(C4=CC=NC4)ccc23)C1.Nc1cc(NCc2ccc[nH]2)c2ccc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/2C19H22N4.C18H22N4.C17H16N6.C17H19N3O2.C16H18FN5/c1-12-2-4-15(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;1-18(2,3)11-21-15-9-17(19)22-16-8-12(4-5-14(15)16)13-6-7-20-10-13;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;1-2-13(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/h3,5-7,9-10,12,15H,2,4,8,11H2,1H3,(H3,20,22,23);5-10,12,16H,2-4,11H2,1H3,(H3,20,22,23);4-9H,10-11H2,1-3H3,(H3,19,21,22);1-9,19H,10H2,(H,21,23)(H3,18,20,22);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)/t12-,15-;12-,16+;;;13-;/m00..1./s1
• InChIKey: ZSLQGMXSANJJGZ-KRXZKWMSSA-N
• XLogP: 20.65
• TPSA: 445.66 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1808.30
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	15
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 (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?

The IUPAC name of (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine (CID 162208000) is (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-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 (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?

The canonical SMILES for (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine is CC(C)(C)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]1CCC[C@H]1Nc1cc(N)nc2cc(C3=CC=NC3)ccc12.C[C@H]1CC[C@H](Nc2cc(N)nc3cc(C4=CC=NC4)ccc23)C1.Nc1cc(NCc2ccc[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?

The InChIKey is ZSLQGMXSANJJGZ-KRXZKWMSSA-N. The full InChI is InChI=1S/2C19H22N4.C18H22N4.C17H16N6.C17H19N3O2.C16H18FN5/c1-12-2-4-15(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;1-18(2,3)11-21-15-9-17(19)22-16-8-12(4-5-14(15)16)13-6-7-20-10-13;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;1-2-13(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/h3,5-7,9-10,12,15H,2,4,8,11H2,1H3,(H3,20,22,23);5-10,12,16H,2-4,11H2,1H3,(H3,20,22,23);4-9H,10-11H2,1-3H3,(H3,19,21,22);1-9,19H,10H2,(H,21,23)(H3,18,20,22);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)/t12-,15-;12-,16+;;;13-;/m00..1./s1.

What are the key properties of (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine?

(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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-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 1808.30 g/mol, XLogP of 20.65, 23 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (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-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-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 162208000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).