(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

C108H107F2N31O2 — CID 165082117

About (2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-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-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (PubChem CID 165082117) has the molecular formula C108H107F2N31O2 and a molecular weight of 1909.25 g/mol. Its IUPAC name is (2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-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-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
• PubChem CID: 165082117
• Molecular Formula: C108H107F2N31O2
• Molecular Weight: 1909.25 g/mol
• Exact Mass: 1907.92
• IUPAC Name: (2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
• SMILES: C.C[C@H](O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.Nc1cc(NCC(F)(F)c2ccccn2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(NC[C@H]2CCCN2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(NCc2ccccn2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(NCc2cccnc2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(OCc2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1
• InChI: InChI=1S/C20H17F2N5.2C19H17N5.C17H20N6.C16H14N6O.C16H18N4O.CH4/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(23-12-15-3-1-2-7-22-15)16-5-4-13(9-18(16)24-19)14-6-8-21-11-14;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;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;1-10(21)8-19-14-7-16(17)20-15-6-11(2-3-13(14)15)12-4-5-18-9-12;/h1-10H,11-12H2,(H3,23,26,27);2*1-10H,11-12H2,(H3,20,23,24);3-5,7-9,12,19H,1-2,6,10H2,(H,21,23)(H3,18,20,22);1-8H,9H2,(H2,17,20)(H,18,21)(H,19,22);2-7,10,21H,8-9H2,1H3,(H3,17,19,20);1H4/t;;;12-;;10-;/m...1.0./s1
• InChIKey: VHGQBAMWCPHYAI-MAUGAECVSA-N
• XLogP: 18.06
• TPSA: 509.25 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1909.25
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	30

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-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-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-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (CID 165082117) is (2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-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-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-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-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is C.C[C@H](O)CNc1cc(N)nc2cc(C3=CC=NC3)ccc12.Nc1cc(NCC(F)(F)c2ccccn2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(NC[C@H]2CCCN2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(NCc2ccccn2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(NCc2cccnc2)c2ccc(C3=CC=NC3)cc2n1.Nc1cc(OCc2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.

What is the InChIKey of (2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?

The InChIKey is VHGQBAMWCPHYAI-MAUGAECVSA-N. The full InChI is InChI=1S/C20H17F2N5.2C19H17N5.C17H20N6.C16H14N6O.C16H18N4O.CH4/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(23-12-15-3-1-2-7-22-15)16-5-4-13(9-18(16)24-19)14-6-8-21-11-14;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;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;1-10(21)8-19-14-7-16(17)20-15-6-11(2-3-13(14)15)12-4-5-18-9-12;/h1-10H,11-12H2,(H3,23,26,27);2*1-10H,11-12H2,(H3,20,23,24);3-5,7-9,12,19H,1-2,6,10H2,(H,21,23)(H3,18,20,22);1-8H,9H2,(H2,17,20)(H,18,21)(H,19,22);2-7,10,21H,8-9H2,1H3,(H3,17,19,20);1H4/t;;;12-;;10-;/m...1.0./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-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-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-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine has a molecular weight of 1909.25 g/mol, XLogP of 18.06, 25 rotatable bonds, 16 hydrogen bond donors, and 30 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-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;methane;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-2-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-(pyridin-3-ylmethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is sourced from PubChem (CID 165082117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).