ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine

C60H83N9O3 — CID 144986174

IUPACethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine
SMILESCC.CCCN(C)c1ccc2nc(C3(N(C)CCC)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C31H43N5O.C27H34N4O2.C2H6/c1-6-18-34(3)24-12-13-27-26(22-24)29(33-30(32-27)31(16-17-31)35(4)19-7-2)36-20-14-23(15-21-36)25-10-8-9-11-28(25)37-5;1-27(12-13-27)26-28-23-9-8-20(30(2)16-17-32)18-22(23)25(29-26)31-14-10-19(11-15-31)21-6-4-5-7-24(21)33-3;1-2/h8-13,22-23H,6-7,14-21H2,1-5H3;4-9,18-19,32H,10-17H2,1-3H3;1-2H3
InChIKeyGIQPANJDISAVAX-UHFFFAOYSA-N
MW978.38 g/mol
LogP11.73
Rot. Bonds17

About ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine

ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine (PubChem CID 144986174) has the molecular formula C60H83N9O3 and a molecular weight of 978.38 g/mol. Its IUPAC name is ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine.

Molecular Properties

Compound Nameethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine
PubChem CID144986174
Molecular FormulaC60H83N9O3
Molecular Weight978.38 g/mol
Exact Mass977.66
IUPAC Nameethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine
SMILESCC.CCCN(C)c1ccc2nc(C3(N(C)CCC)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C31H43N5O.C27H34N4O2.C2H6/c1-6-18-34(3)24-12-13-27-26(22-24)29(33-30(32-27)31(16-17-31)35(4)19-7-2)36-20-14-23(15-21-36)25-10-8-9-11-28(25)37-5;1-27(12-13-27)26-28-23-9-8-20(30(2)16-17-32)18-22(23)25(29-26)31-14-10-19(11-15-31)21-6-4-5-7-24(21)33-3;1-2/h8-13,22-23H,6-7,14-21H2,1-5H3;4-9,18-19,32H,10-17H2,1-3H3;1-2H3
InChIKeyGIQPANJDISAVAX-UHFFFAOYSA-N
XLogP11.73
TPSA106.45 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500978.38
LogP ≤ 511.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine with MolForge

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Related Compounds

2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol
CID 118610427
2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine
CID 90236942
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine
CID 90237040
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
CID 90237274
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 90237332
2-[[2-Cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 90237403
US10118902, Example 174
CID 118610260
US10118902, Example 18
CID 118610314
US10118902, Example 125
CID 118610338
US10118902, Example 103
CID 118610402
US10118902, Example 47
CID 118610411
US10118902, Example 59
CID 118610423

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine?
The IUPAC name of ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine (CID 144986174) is ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine.
What is the SMILES notation for ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine?
The canonical SMILES for ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine is CC.CCCN(C)c1ccc2nc(C3(N(C)CCC)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1.
What is the InChIKey of ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine?
The InChIKey is GIQPANJDISAVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O.C27H34N4O2.C2H6/c1-6-18-34(3)24-12-13-27-26(22-24)29(33-30(32-27)31(16-17-31)35(4)19-7-2)36-20-14-23(15-21-36)25-10-8-9-11-28(25)37-5;1-27(12-13-27)26-28-23-9-8-20(30(2)16-17-32)18-22(23)25(29-26)31-14-10-19(11-15-31)21-6-4-5-7-24(21)33-3;1-2/h8-13,22-23H,6-7,14-21H2,1-5H3;4-9,18-19,32H,10-17H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine?
ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine has a molecular weight of 978.38 g/mol, XLogP of 11.73, 17 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine is sourced from PubChem (CID 144986174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).