1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone

C131H150ClN17O16 — CID 159057529

IUPAC1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone
SMILESCC(=O)C1CC(Oc2cc(N)nc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2cccc3cnccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(Cl)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3ccccc23)CN1C.CC(=O)C1CC(Oc2cncc3ccccc23)CN1C.CC(=O)C1CC(Oc2nccc3ccccc23)CN1C
InChIInChI=1S/C17H21N3O2.2C17H20N2O2.C16H17ClN2O2.4C16H18N2O2/c1-10-4-5-13-14(6-10)19-17(18)8-16(13)22-12-7-15(11(2)21)20(3)9-12;2*1-11-4-5-14-15(8-11)18-7-6-17(14)21-13-9-16(12(2)20)19(3)10-13;1-10(20)15-8-12(9-19(15)2)21-16-5-6-18-14-7-11(17)3-4-13(14)16;1-11(19)15-8-13(10-18(15)2)20-16-5-3-4-12-9-17-7-6-14(12)16;1-11(19)15-7-13(10-18(15)2)20-16-9-17-8-12-5-3-4-6-14(12)16;1-11(19)15-9-12(10-18(15)2)20-16-7-8-17-14-6-4-3-5-13(14)16;1-11(19)15-9-13(10-18(15)2)20-16-14-6-4-3-5-12(14)7-8-17-16/h4-6,8,12,15H,7,9H2,1-3H3,(H2,18,19);2*4-8,13,16H,9-10H2,1-3H3;3-7,12,15H,8-9H2,1-2H3;3-7,9,13,15H,8,10H2,1-2H3;3-6,8-9,13,15H,7,10H2,1-2H3;3-8,12,15H,9-10H2,1-2H3;3-8,13,15H,9-10H2,1-2H3
InChIKeyJYAVXHXDPCCRNK-UHFFFAOYSA-N
MW2254.20 g/mol
LogP19.36
Rot. Bonds24

About 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone

1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone (PubChem CID 159057529) has the molecular formula C131H150ClN17O16 and a molecular weight of 2254.20 g/mol. Its IUPAC name is 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone
PubChem CID159057529
Molecular FormulaC131H150ClN17O16
Molecular Weight2254.20 g/mol
Exact Mass2252.11
IUPAC Name1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone
SMILESCC(=O)C1CC(Oc2cc(N)nc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2cccc3cnccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(Cl)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3ccccc23)CN1C.CC(=O)C1CC(Oc2cncc3ccccc23)CN1C.CC(=O)C1CC(Oc2nccc3ccccc23)CN1C
InChIInChI=1S/C17H21N3O2.2C17H20N2O2.C16H17ClN2O2.4C16H18N2O2/c1-10-4-5-13-14(6-10)19-17(18)8-16(13)22-12-7-15(11(2)21)20(3)9-12;2*1-11-4-5-14-15(8-11)18-7-6-17(14)21-13-9-16(12(2)20)19(3)10-13;1-10(20)15-8-12(9-19(15)2)21-16-5-6-18-14-7-11(17)3-4-13(14)16;1-11(19)15-8-13(10-18(15)2)20-16-5-3-4-12-9-17-7-6-14(12)16;1-11(19)15-7-13(10-18(15)2)20-16-9-17-8-12-5-3-4-6-14(12)16;1-11(19)15-9-12(10-18(15)2)20-16-7-8-17-14-6-4-3-5-13(14)16;1-11(19)15-9-13(10-18(15)2)20-16-14-6-4-3-5-12(14)7-8-17-16/h4-6,8,12,15H,7,9H2,1-3H3,(H2,18,19);2*4-8,13,16H,9-10H2,1-3H3;3-7,12,15H,8-9H2,1-2H3;3-7,9,13,15H,8,10H2,1-2H3;3-6,8-9,13,15H,7,10H2,1-2H3;3-8,12,15H,9-10H2,1-2H3;3-8,13,15H,9-10H2,1-2H3
InChIKeyJYAVXHXDPCCRNK-UHFFFAOYSA-N
XLogP19.36
TPSA365.46 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms165
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002254.20
LogP ≤ 519.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone?
The IUPAC name of 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone (CID 159057529) is 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone is CC(=O)C1CC(Oc2cc(N)nc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2cccc3cnccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(Cl)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3ccccc23)CN1C.CC(=O)C1CC(Oc2cncc3ccccc23)CN1C.CC(=O)C1CC(Oc2nccc3ccccc23)CN1C.
What is the InChIKey of 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone?
The InChIKey is JYAVXHXDPCCRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.2C17H20N2O2.C16H17ClN2O2.4C16H18N2O2/c1-10-4-5-13-14(6-10)19-17(18)8-16(13)22-12-7-15(11(2)21)20(3)9-12;2*1-11-4-5-14-15(8-11)18-7-6-17(14)21-13-9-16(12(2)20)19(3)10-13;1-10(20)15-8-12(9-19(15)2)21-16-5-6-18-14-7-11(17)3-4-13(14)16;1-11(19)15-8-13(10-18(15)2)20-16-5-3-4-12-9-17-7-6-14(12)16;1-11(19)15-7-13(10-18(15)2)20-16-9-17-8-12-5-3-4-6-14(12)16;1-11(19)15-9-12(10-18(15)2)20-16-7-8-17-14-6-4-3-5-13(14)16;1-11(19)15-9-13(10-18(15)2)20-16-14-6-4-3-5-12(14)7-8-17-16/h4-6,8,12,15H,7,9H2,1-3H3,(H2,18,19);2*4-8,13,16H,9-10H2,1-3H3;3-7,12,15H,8-9H2,1-2H3;3-7,9,13,15H,8,10H2,1-2H3;3-6,8-9,13,15H,7,10H2,1-2H3;3-8,12,15H,9-10H2,1-2H3;3-8,13,15H,9-10H2,1-2H3.
What are the key properties of 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone?
1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone has a molecular weight of 2254.20 g/mol, XLogP of 19.36, 24 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone is sourced from PubChem (CID 159057529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).