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

C110H132N16O5 — CID 157364064

IUPAC2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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
SMILESCO[C@@H]1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5C)CC4)c3c2)C1.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.C28H34N4O.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;1-19-5-3-4-6-24(19)20-11-14-31(15-12-20)28-25-17-22(32-16-13-23(18-32)33-2)9-10-26(25)29-27(30-28)21-7-8-21;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;3-6,9-10,17,20-21,23H,7-8,11-16,18H2,1-2H3;2*2-5,8-9,16,19-20,22,32H,6-7,10-15,17H2,1H3/t;23-;2*22-/m.110/s1
InChIKeyBIYZLUPDLPWYDV-PIOAPSDTSA-N
MW1758.37 g/mol
LogP20.09
Rot. Bonds19

About 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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 157364064) has the molecular formula C110H132N16O5 and a molecular weight of 1758.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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 CID157364064
Molecular FormulaC110H132N16O5
Molecular Weight1758.37 g/mol
Exact Mass1757.06
IUPAC Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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
SMILESCO[C@@H]1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5C)CC4)c3c2)C1.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.C28H34N4O.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;1-19-5-3-4-6-24(19)20-11-14-31(15-12-20)28-25-17-22(32-16-13-23(18-32)33-2)9-10-26(25)29-27(30-28)21-7-8-21;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;3-6,9-10,17,20-21,23H,7-8,11-16,18H2,1-2H3;2*2-5,8-9,16,19-20,22,32H,6-7,10-15,17H2,1H3/t;23-;2*22-/m.110/s1
InChIKeyBIYZLUPDLPWYDV-PIOAPSDTSA-N
XLogP20.09
TPSA197.19 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001758.37
LogP ≤ 520.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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 157364064) is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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 CO[C@@H]1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5C)CC4)c3c2)C1.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;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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 BIYZLUPDLPWYDV-PIOAPSDTSA-N. The full InChI is InChI=1S/C28H34N4O2.C28H34N4O.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;1-19-5-3-4-6-24(19)20-11-14-31(15-12-20)28-25-17-22(32-16-13-23(18-32)33-2)9-10-26(25)29-27(30-28)21-7-8-21;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;3-6,9-10,17,20-21,23H,7-8,11-16,18H2,1-2H3;2*2-5,8-9,16,19-20,22,32H,6-7,10-15,17H2,1H3/t;23-;2*22-/m.110/s1.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(3-methoxypyrrolidin-1-yl)quinazoline;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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 1758.37 g/mol, XLogP of 20.09, 19 rotatable bonds, 2 hydrogen bond donors, and 21 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;2-cyclopropyl-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-[4-(2-methylphenyl)piperidin-1-yl]quinazoline;(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 157364064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).