2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine

C100H144F3N15O8 — CID 158717434

IUPAC2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1cc2c(NC3CCCC3)cc(C)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C)CC3)cc(C(F)(F)F)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C)CC3)cc(C)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C)CC3)cc(C3=CCCCC3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C29H42N4O2.C24H33F3N4O2.C24H36N4O2.C23H33N3O2/c1-32-16-11-23(12-17-32)30-26-20-25(22-9-4-3-5-10-22)31-27-21-29(28(34-2)19-24(26)27)35-18-8-15-33-13-6-7-14-33;1-30-11-6-17(7-12-30)28-20-16-23(24(25,26)27)29-19-15-22(21(32-2)14-18(19)20)33-13-5-10-31-8-3-4-9-31;1-18-15-21(26-19-7-12-27(2)13-8-19)20-16-23(29-3)24(17-22(20)25-18)30-14-6-11-28-9-4-5-10-28;1-17-14-20(25-18-8-3-4-9-18)19-15-22(27-2)23(16-21(19)24-17)28-13-7-12-26-10-5-6-11-26/h9,19-21,23H,3-8,10-18H2,1-2H3,(H,30,31);14-17H,3-13H2,1-2H3,(H,28,29);15-17,19H,4-14H2,1-3H3,(H,25,26);14-16,18H,3-13H2,1-2H3,(H,24,25)
InChIKeyIJMLVBQEEVMNMB-UHFFFAOYSA-N
MW1741.34 g/mol
LogP18.90
Rot. Bonds33

About 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine

2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 158717434) has the molecular formula C100H144F3N15O8 and a molecular weight of 1741.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine
PubChem CID158717434
Molecular FormulaC100H144F3N15O8
Molecular Weight1741.34 g/mol
Exact Mass1740.13
IUPAC Name2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1cc2c(NC3CCCC3)cc(C)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C)CC3)cc(C(F)(F)F)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C)CC3)cc(C)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C)CC3)cc(C3=CCCCC3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C29H42N4O2.C24H33F3N4O2.C24H36N4O2.C23H33N3O2/c1-32-16-11-23(12-17-32)30-26-20-25(22-9-4-3-5-10-22)31-27-21-29(28(34-2)19-24(26)27)35-18-8-15-33-13-6-7-14-33;1-30-11-6-17(7-12-30)28-20-16-23(24(25,26)27)29-19-15-22(21(32-2)14-18(19)20)33-13-5-10-31-8-3-4-9-31;1-18-15-21(26-19-7-12-27(2)13-8-19)20-16-23(29-3)24(17-22(20)25-18)30-14-6-11-28-9-4-5-10-28;1-17-14-20(25-18-8-3-4-9-18)19-15-22(27-2)23(16-21(19)24-17)28-13-7-12-26-10-5-6-11-26/h9,19-21,23H,3-8,10-18H2,1-2H3,(H,30,31);14-17H,3-13H2,1-2H3,(H,28,29);15-17,19H,4-14H2,1-3H3,(H,25,26);14-16,18H,3-13H2,1-2H3,(H,24,25)
InChIKeyIJMLVBQEEVMNMB-UHFFFAOYSA-N
XLogP18.90
TPSA196.20 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001741.34
LogP ≤ 518.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine with MolForge

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Related Compounds

2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118607414
6-methoxy-N-(1-methylpiperidin-4-yl)-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118613639
6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118607435
2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118607471
2-cyclohexyl-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118607488
6-methoxy-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118613632
6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118613636
2-(3,6-dihydro-2H-pyran-4-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118613660
6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine
CID 118613693
6-methoxy-N-(1-methylpiperidin-4-yl)-2-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 118607434
2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 118607470
2-cyclohexyl-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 118607487

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine (CID 158717434) is 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine is COc1cc2c(NC3CCCC3)cc(C)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C)CC3)cc(C(F)(F)F)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C)CC3)cc(C)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C)CC3)cc(C3=CCCCC3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is IJMLVBQEEVMNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O2.C24H33F3N4O2.C24H36N4O2.C23H33N3O2/c1-32-16-11-23(12-17-32)30-26-20-25(22-9-4-3-5-10-22)31-27-21-29(28(34-2)19-24(26)27)35-18-8-15-33-13-6-7-14-33;1-30-11-6-17(7-12-30)28-20-16-23(24(25,26)27)29-19-15-22(21(32-2)14-18(19)20)33-13-5-10-31-8-3-4-9-31;1-18-15-21(26-19-7-12-27(2)13-8-19)20-16-23(29-3)24(17-22(20)25-18)30-14-6-11-28-9-4-5-10-28;1-17-14-20(25-18-8-3-4-9-18)19-15-22(27-2)23(16-21(19)24-17)28-13-7-12-26-10-5-6-11-26/h9,19-21,23H,3-8,10-18H2,1-2H3,(H,30,31);14-17H,3-13H2,1-2H3,(H,28,29);15-17,19H,4-14H2,1-3H3,(H,25,26);14-16,18H,3-13H2,1-2H3,(H,24,25).
What are the key properties of 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine?
2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 1741.34 g/mol, XLogP of 18.90, 33 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;N-cyclopentyl-6-methoxy-2-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 158717434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).