1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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

C69H76FN19O — CID 157076935

About 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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

1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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 157076935) has the molecular formula C69H76FN19O and a molecular weight of 1206.50 g/mol. Its IUPAC name is 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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: 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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: 157076935
• Molecular Formula: C69H76FN19O
• Molecular Weight: 1206.50 g/mol
• Exact Mass: 1205.65
• IUPAC Name: 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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)(O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.CCCCNc1cc(N)nc2cc(-c3ccn[nH]3)c(F)cc12.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/C19H22N4.C17H16N6.C17H20N4O.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;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;1-2-3-5-19-14-9-16(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);1-9,19H,10H2,(H,21,23)(H3,18,20,22);3-8,22H,9-10H2,1-2H3,(H3,18,20,21);4,6-9H,2-3,5H2,1H3,(H,20,22)(H3,18,19,21)/t12-,15-;;;/m0.../s1
• InChIKey: ADBROXQEVAAZHR-UZYDFEEFSA-N
• XLogP: 13.06
• TPSA: 321.86 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1206.50
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

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;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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 157076935) is 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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)(O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.CCCCNc1cc(N)nc2cc(-c3ccn[nH]3)c(F)cc12.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 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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 ADBROXQEVAAZHR-UZYDFEEFSA-N. The full InChI is InChI=1S/C19H22N4.C17H16N6.C17H20N4O.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;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;1-2-3-5-19-14-9-16(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);1-9,19H,10H2,(H,21,23)(H3,18,20,22);3-8,22H,9-10H2,1-2H3,(H3,18,20,21);4,6-9H,2-3,5H2,1H3,(H,20,22)(H3,18,19,21)/t12-,15-;;;/m0.../s1.

What are the key properties of 1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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?

1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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 1206.50 g/mol, XLogP of 13.06, 16 rotatable bonds, 12 hydrogen bond donors, and 17 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;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-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 157076935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).