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

C53H63N11O3 — CID 158566288

IUPAC(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;methane;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
SMILESC.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]1CCC[C@H]1Nc1cc(N)nc2cc(C3=CC=NC3)ccc12
InChIInChI=1S/C19H22N4.C17H19N3O2.C16H18N4O.CH4/c1-12-3-2-4-16(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;/h5-10,12,16H,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);1H4/t12-,16+;13-;10-;/m011./s1
InChIKeyHRNBEQHPYRKXRV-UQQGIQLKSA-N
MW902.16 g/mol
LogP9.03
Rot. Bonds12

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;methane;4-N-[(1R,2S)-2-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;methane;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (PubChem CID 158566288) has the molecular formula C53H63N11O3 and a molecular weight of 902.16 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;methane;4-N-[(1R,2S)-2-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;methane;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
PubChem CID158566288
Molecular FormulaC53H63N11O3
Molecular Weight902.16 g/mol
Exact Mass901.51
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;methane;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
SMILESC.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]1CCC[C@H]1Nc1cc(N)nc2cc(C3=CC=NC3)ccc12
InChIInChI=1S/C19H22N4.C17H19N3O2.C16H18N4O.CH4/c1-12-3-2-4-16(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;/h5-10,12,16H,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);1H4/t12-,16+;13-;10-;/m011./s1
InChIKeyHRNBEQHPYRKXRV-UQQGIQLKSA-N
XLogP9.03
TPSA227.56 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500902.16
LogP ≤ 59.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

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

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Launch Full Analysis

Related Compounds

(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
(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;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 167675247
(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
CID 167696993
4-[1-[2-[[2-amino-4-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]piperazin-1-yl]quinolin-7-yl]amino]quinolin-4-yl]oxyethyl]-N'-hydroxybenzenecarboximidamide
CID 173809683
(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol
CID 158566290
(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxypropan-2-ol
CID 165020193

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;methane;4-N-[(1R,2S)-2-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;methane;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (CID 158566288) 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;methane;4-N-[(1R,2S)-2-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;methane;4-N-[(1R,2S)-2-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;methane;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is C.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]1CCC[C@H]1Nc1cc(N)nc2cc(C3=CC=NC3)ccc12.
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;methane;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?
The InChIKey is HRNBEQHPYRKXRV-UQQGIQLKSA-N. The full InChI is InChI=1S/C19H22N4.C17H19N3O2.C16H18N4O.CH4/c1-12-3-2-4-16(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;/h5-10,12,16H,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);1H4/t12-,16+;13-;10-;/m011./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;methane;4-N-[(1R,2S)-2-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;methane;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine has a molecular weight of 902.16 g/mol, XLogP of 9.03, 12 rotatable bonds, 7 hydrogen bond donors, and 14 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;methane;4-N-[(1R,2S)-2-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is sourced from PubChem (CID 158566288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).