6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine

C109H136BrN15O6 — CID 158979689

IUPAC6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine
SMILESC1CCOC1.CCCN.CCCN(C)Cc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCNCc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(C=O)cc23)CC1
InChIInChI=1S/C28H36N4O.C27H34N4O.C24H25N3O2.C23H24BrN3O.C4H8O.C3H9N/c1-4-15-31(2)19-20-9-12-25-24(18-20)28(30-27(29-25)22-10-11-22)32-16-13-21(14-17-32)23-7-5-6-8-26(23)33-3;1-3-14-28-18-19-8-11-24-23(17-19)27(30-26(29-24)21-9-10-21)31-15-12-20(13-16-31)22-6-4-5-7-25(22)32-2;1-29-22-5-3-2-4-19(22)17-10-12-27(13-11-17)24-20-14-16(15-28)6-9-21(20)25-23(26-24)18-7-8-18;1-28-21-5-3-2-4-18(21)15-10-12-27(13-11-15)23-19-14-17(24)8-9-20(19)25-22(26-23)16-6-7-16;1-2-4-5-3-1;1-2-3-4/h5-9,12,18,21-22H,4,10-11,13-17,19H2,1-3H3;4-8,11,17,20-21,28H,3,9-10,12-16,18H2,1-2H3;2-6,9,14-15,17-18H,7-8,10-13H2,1H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;1-4H2;2-4H2,1H3
InChIKeyJOVKUTQGDRXIQQ-UHFFFAOYSA-N
MW1832.29 g/mol
LogP22.67
Rot. Bonds26

About 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine

6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine (PubChem CID 158979689) has the molecular formula C109H136BrN15O6 and a molecular weight of 1832.29 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine
PubChem CID158979689
Molecular FormulaC109H136BrN15O6
Molecular Weight1832.29 g/mol
Exact Mass1830.00
IUPAC Name6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine
SMILESC1CCOC1.CCCN.CCCN(C)Cc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCNCc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(C=O)cc23)CC1
InChIInChI=1S/C28H36N4O.C27H34N4O.C24H25N3O2.C23H24BrN3O.C4H8O.C3H9N/c1-4-15-31(2)19-20-9-12-25-24(18-20)28(30-27(29-25)22-10-11-22)32-16-13-21(14-17-32)23-7-5-6-8-26(23)33-3;1-3-14-28-18-19-8-11-24-23(17-19)27(30-26(29-24)21-9-10-21)31-15-12-20(13-16-31)22-6-4-5-7-25(22)32-2;1-29-22-5-3-2-4-19(22)17-10-12-27(13-11-17)24-20-14-16(15-28)6-9-21(20)25-23(26-24)18-7-8-18;1-28-21-5-3-2-4-18(21)15-10-12-27(13-11-15)23-19-14-17(24)8-9-20(19)25-22(26-23)16-6-7-16;1-2-4-5-3-1;1-2-3-4/h5-9,12,18,21-22H,4,10-11,13-17,19H2,1-3H3;4-8,11,17,20-21,28H,3,9-10,12-16,18H2,1-2H3;2-6,9,14-15,17-18H,7-8,10-13H2,1H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;1-4H2;2-4H2,1H3
InChIKeyJOVKUTQGDRXIQQ-UHFFFAOYSA-N
XLogP22.67
TPSA220.59 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.29
LogP ≤ 522.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine with MolForge

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Related Compounds

6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;methane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
CID 157957886
6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine
CID 159363765
6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-dimethyl-piperidin-4-yloxysilane;cyclopropanecarbonitrile;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol;ethyl 2-amino-5-bromobenzoate;methanol;4-(2-methoxyphenyl)piperidine
CID 159672921
Tert-butyl 4-[6-bromo-2-(2-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;2-(2-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinazoline-6-carboxylic acid
CID 160380345
6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-dimethyl-piperidin-4-yloxysilane;cyclopropanecarbonitrile;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol;ethyl 2-amino-5-bromobenzoate;methane;methanol;4-(2-methoxyphenyl)piperidine
CID 161960429
6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl N-piperidin-4-ylcarbamate;bis(carbon dioxide);2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dipropylquinazolin-6-amine;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-amine;ethyl 2-bromoacetate
CID 162225723
6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl N-piperidin-4-ylcarbamate;bis(carbon dioxide);2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-amine;ethyl 2-bromoacetate
CID 163545112

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine?
The IUPAC name of 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine (CID 158979689) is 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine.
What is the SMILES notation for 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine?
The canonical SMILES for 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine is C1CCOC1.CCCN.CCCN(C)Cc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCNCc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(C=O)cc23)CC1.
What is the InChIKey of 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine?
The InChIKey is JOVKUTQGDRXIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O.C27H34N4O.C24H25N3O2.C23H24BrN3O.C4H8O.C3H9N/c1-4-15-31(2)19-20-9-12-25-24(18-20)28(30-27(29-25)22-10-11-22)32-16-13-21(14-17-32)23-7-5-6-8-26(23)33-3;1-3-14-28-18-19-8-11-24-23(17-19)27(30-26(29-24)21-9-10-21)31-15-12-20(13-16-31)22-6-4-5-7-25(22)32-2;1-29-22-5-3-2-4-19(22)17-10-12-27(13-11-17)24-20-14-16(15-28)6-9-21(20)25-23(26-24)18-7-8-18;1-28-21-5-3-2-4-18(21)15-10-12-27(13-11-15)23-19-14-17(24)8-9-20(19)25-22(26-23)16-6-7-16;1-2-4-5-3-1;1-2-3-4/h5-9,12,18,21-22H,4,10-11,13-17,19H2,1-3H3;4-8,11,17,20-21,28H,3,9-10,12-16,18H2,1-2H3;2-6,9,14-15,17-18H,7-8,10-13H2,1H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;1-4H2;2-4H2,1H3.
What are the key properties of 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine?
6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine has a molecular weight of 1832.29 g/mol, XLogP of 22.67, 26 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline-6-carbaldehyde;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]-N-methylpropan-1-amine;N-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methyl]propan-1-amine;oxolane;propan-1-amine is sourced from PubChem (CID 158979689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).