2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol

C109H130N16O6 — CID 158878220

IUPAC2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)C4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(OC)C4)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](O)C4)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](O)C4)cc23)CC1
InChIInChI=1S/C28H34N4O2.C27H32N4O2.2C27H32N4O/c1-33-22-13-16-32(18-22)21-9-10-25-24(17-21)28(30-27(29-25)20-7-8-20)31-14-11-19(12-15-31)23-5-3-4-6-26(23)34-2;1-33-25-5-3-2-4-22(25)18-10-13-30(14-11-18)27-23-16-20(31-15-12-21(32)17-31)8-9-24(23)28-26(29-27)19-6-7-19;2*1-18-4-2-3-5-23(18)19-10-13-30(14-11-19)27-24-16-21(31-15-12-22(32)17-31)8-9-25(24)28-26(29-27)20-6-7-20/h3-6,9-10,17,19-20,22H,7-8,11-16,18H2,1-2H3;2-5,8-9,16,18-19,21,32H,6-7,10-15,17H2,1H3;2*2-5,8-9,16,19-20,22,32H,6-7,10-15,17H2,1H3/t;;2*22-/m..10/s1
InChIKeyJCSALNFZIXYQSX-RJHYWXQISA-N
MW1760.34 g/mol
LogP19.14
Rot. Bonds19

About 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol

2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol (PubChem CID 158878220) has the molecular formula C109H130N16O6 and a molecular weight of 1760.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
PubChem CID158878220
Molecular FormulaC109H130N16O6
Molecular Weight1760.34 g/mol
Exact Mass1759.04
IUPAC Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)C4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(OC)C4)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](O)C4)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](O)C4)cc23)CC1
InChIInChI=1S/C28H34N4O2.C27H32N4O2.2C27H32N4O/c1-33-22-13-16-32(18-22)21-9-10-25-24(17-21)28(30-27(29-25)20-7-8-20)31-14-11-19(12-15-31)23-5-3-4-6-26(23)34-2;1-33-25-5-3-2-4-22(25)18-10-13-30(14-11-18)27-23-16-20(31-15-12-21(32)17-31)8-9-24(23)28-26(29-27)19-6-7-19;2*1-18-4-2-3-5-23(18)19-10-13-30(14-11-19)27-24-16-21(31-15-12-22(32)17-31)8-9-25(24)28-26(29-27)20-6-7-20/h3-6,9-10,17,19-20,22H,7-8,11-16,18H2,1-2H3;2-5,8-9,16,18-19,21,32H,6-7,10-15,17H2,1H3;2*2-5,8-9,16,19-20,22,32H,6-7,10-15,17H2,1H3/t;;2*22-/m..10/s1
InChIKeyJCSALNFZIXYQSX-RJHYWXQISA-N
XLogP19.14
TPSA217.42 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.34
LogP ≤ 519.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

US10118902, Example 174
CID 118610260
US10118902, Example 175
CID 118617787
US10118902, Example 176
CID 118617789
US10118902, Example 76
CID 118610404
US10118902, Example 126
CID 118617733
US10118902, Example 173
CID 118617781
US10118902, Example 178
CID 130339637
US10118902, Example 177
CID 130339652
US10118902, Example 79
CID 118610254
US10118902, Example 80
CID 118610256
1-[2-(1-Fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118610347
(3S)-1-[8-fluoro-2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617806

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol?
The IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol (CID 158878220) is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol is COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)C4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(OC)C4)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](O)C4)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](O)C4)cc23)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol?
The InChIKey is JCSALNFZIXYQSX-RJHYWXQISA-N. The full InChI is InChI=1S/C28H34N4O2.C27H32N4O2.2C27H32N4O/c1-33-22-13-16-32(18-22)21-9-10-25-24(17-21)28(30-27(29-25)20-7-8-20)31-14-11-19(12-15-31)23-5-3-4-6-26(23)34-2;1-33-25-5-3-2-4-22(25)18-10-13-30(14-11-18)27-23-16-20(31-15-12-21(32)17-31)8-9-24(23)28-26(29-27)19-6-7-19;2*1-18-4-2-3-5-23(18)19-10-13-30(14-11-19)27-24-16-21(31-15-12-22(32)17-31)8-9-25(24)28-26(29-27)20-6-7-20/h3-6,9-10,17,19-20,22H,7-8,11-16,18H2,1-2H3;2-5,8-9,16,18-19,21,32H,6-7,10-15,17H2,1H3;2*2-5,8-9,16,19-20,22,32H,6-7,10-15,17H2,1H3/t;;2*22-/m..10/s1.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol?
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol has a molecular weight of 1760.34 g/mol, XLogP of 19.14, 19 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3R)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;(3S)-1-[2-cyclopropyl-4-[4-(2-methylphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol is sourced from PubChem (CID 158878220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).