cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

C108H108F2N30O3 — CID 158180195

About cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (PubChem CID 158180195) has the molecular formula C108H108F2N30O3 and a molecular weight of 1912.25 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine.

Molecular Properties

• Compound Name: cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
• PubChem CID: 158180195
• Molecular Formula: C108H108F2N30O3
• Molecular Weight: 1912.25 g/mol
• Exact Mass: 1910.92
• IUPAC Name: cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
• SMILES: Nc1cc(NC2CCOC2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(NCC(F)(F)c2ccccn2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(NC[C@H]2CCCN2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(NCc2cccnc2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(N[C@@H]2CCCC[C@@H]2O)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(OCc2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C20H17F2N5.C19H17N5.C19H22N4O.C17H20N6.C17H18N4O.C16H14N6O/c21-20(22,18-3-1-2-7-25-18)12-26-16-10-19(23)27-17-9-13(4-5-15(16)17)14-6-8-24-11-14;20-19-9-17(23-11-13-2-1-6-21-10-13)16-4-3-14(8-18(16)24-19)15-5-7-22-12-15;20-19-10-17(22-15-3-1-2-4-18(15)24)14-6-5-12(9-16(14)23-19)13-7-8-21-11-13;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;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;17-16-8-15(23-9-11-3-5-18-21-11)12-2-1-10(7-14(12)20-16)13-4-6-19-22-13/h1-10H,11-12H2,(H3,23,26,27);1-10H,11-12H2,(H3,20,23,24);5-10,15,18,24H,1-4,11H2,(H3,20,22,23);3-5,7-9,12,19H,1-2,6,10H2,(H,21,23)(H3,18,20,22);1-3,5,7-8,13H,4,6,9-10H2,(H3,18,20,21);1-8H,9H2,(H2,17,20)(H,18,21)(H,19,22)/t;;15-,18+;12-;;/m..11../s1
• InChIKey: FYMKGFULKDUWSU-BHEYZVLASA-N
• XLogP: 17.54
• TPSA: 505.59 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1912.25
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

The IUPAC name of cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (CID 158180195) is cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine.

What is the SMILES notation for cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

The canonical SMILES for cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is Nc1cc(NC2CCOC2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(NCC(F)(F)c2ccccn2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(NC[C@H]2CCCN2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(NCc2cccnc2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(N[C@@H]2CCCC[C@@H]2O)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(OCc2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

The InChIKey is FYMKGFULKDUWSU-BHEYZVLASA-N. The full InChI is InChI=1S/C20H17F2N5.C19H17N5.C19H22N4O.C17H20N6.C17H18N4O.C16H14N6O/c21-20(22,18-3-1-2-7-25-18)12-26-16-10-19(23)27-17-9-13(4-5-15(16)17)14-6-8-24-11-14;20-19-9-17(23-11-13-2-1-6-21-10-13)16-4-3-14(8-18(16)24-19)15-5-7-22-12-15;20-19-10-17(22-15-3-1-2-4-18(15)24)14-6-5-12(9-16(14)23-19)13-7-8-21-11-13;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;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;17-16-8-15(23-9-11-3-5-18-21-11)12-2-1-10(7-14(12)20-16)13-4-6-19-22-13/h1-10H,11-12H2,(H3,23,26,27);1-10H,11-12H2,(H3,20,23,24);5-10,15,18,24H,1-4,11H2,(H3,20,22,23);3-5,7-9,12,19H,1-2,6,10H2,(H,21,23)(H3,18,20,22);1-3,5,7-8,13H,4,6,9-10H2,(H3,18,20,21);1-8H,9H2,(H2,17,20)(H,18,21)(H,19,22)/t;;15-,18+;12-;;/m..11../s1.

What are the key properties of cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine has a molecular weight of 1912.25 g/mol, XLogP of 17.54, 23 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclohexan-1-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(oxolan-3-yl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-(1H-pyrazol-5-ylmethoxy)quinolin-2-amine;7-(1H-pyrazol-5-yl)-4-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is sourced from PubChem (CID 158180195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).