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

C130H169Br2N19O12 — CID 163545112

IUPAC6-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
SMILESCC(C)(C)OC(=O)NC1CCNCC1.CCCN(CCC)C1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5OC)CC4)c3c2)CC1.CCOC(=O)CBr.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(C)CC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(N)CC4)cc23)CC1.O=C=O.O=C=O
InChIInChI=1S/C34H47N5O.C29H36N4O.C28H35N5O.C23H24BrN3O.C10H20N2O2.C4H7BrO2.2CO2/c1-4-18-37(19-5-2)27-16-22-38(23-17-27)28-12-13-31-30(24-28)34(36-33(35-31)26-10-11-26)39-20-14-25(15-21-39)29-8-6-7-9-32(29)40-3;1-20-11-15-32(16-12-20)23-9-10-26-25(19-23)29(31-28(30-26)22-7-8-22)33-17-13-21(14-18-33)24-5-3-4-6-27(24)34-2;1-34-26-5-3-2-4-23(26)19-10-14-33(15-11-19)28-24-18-22(32-16-12-21(29)13-17-32)8-9-25(24)30-27(31-28)20-6-7-20;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;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;1-2-7-4(6)3-5;2*2-1-3/h6-9,12-13,24-27H,4-5,10-11,14-23H2,1-3H3;3-6,9-10,19-22H,7-8,11-18H2,1-2H3;2-5,8-9,18-21H,6-7,10-17,29H2,1H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);2-3H2,1H3;;
InChIKeyFEJYLSAPLMQDDC-UHFFFAOYSA-N
MW2349.71 g/mol
LogP24.66
Rot. Bonds27

About 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

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 (PubChem CID 163545112) has the molecular formula C130H169Br2N19O12 and a molecular weight of 2349.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID163545112
Molecular FormulaC130H169Br2N19O12
Molecular Weight2349.71 g/mol
Exact Mass2346.16
IUPAC Name6-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
SMILESCC(C)(C)OC(=O)NC1CCNCC1.CCCN(CCC)C1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5OC)CC4)c3c2)CC1.CCOC(=O)CBr.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(C)CC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(N)CC4)cc23)CC1.O=C=O.O=C=O
InChIInChI=1S/C34H47N5O.C29H36N4O.C28H35N5O.C23H24BrN3O.C10H20N2O2.C4H7BrO2.2CO2/c1-4-18-37(19-5-2)27-16-22-38(23-17-27)28-12-13-31-30(24-28)34(36-33(35-31)26-10-11-26)39-20-14-25(15-21-39)29-8-6-7-9-32(29)40-3;1-20-11-15-32(16-12-20)23-9-10-26-25(19-23)29(31-28(30-26)22-7-8-22)33-17-13-21(14-18-33)24-5-3-4-6-27(24)34-2;1-34-26-5-3-2-4-23(26)19-10-14-33(15-11-19)28-24-18-22(32-16-12-21(29)13-17-32)8-9-25(24)30-27(31-28)20-6-7-20;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;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;1-2-7-4(6)3-5;2*2-1-3/h6-9,12-13,24-27H,4-5,10-11,14-23H2,1-3H3;3-6,9-10,19-22H,7-8,11-18H2,1-2H3;2-5,8-9,18-21H,6-7,10-17,29H2,1H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);2-3H2,1H3;;
InChIKeyFEJYLSAPLMQDDC-UHFFFAOYSA-N
XLogP24.66
TPSA336.92 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002349.71
LogP ≤ 524.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)NC1CCNCC1.CCCN(CCC)C1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5OC)CC4)c3c2)CC1.CCOC(=O)CBr.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(C)CC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(N)CC4)cc23)CC1.O=C=O.O=C=O.
What is the InChIKey of 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?
The InChIKey is FEJYLSAPLMQDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47N5O.C29H36N4O.C28H35N5O.C23H24BrN3O.C10H20N2O2.C4H7BrO2.2CO2/c1-4-18-37(19-5-2)27-16-22-38(23-17-27)28-12-13-31-30(24-28)34(36-33(35-31)26-10-11-26)39-20-14-25(15-21-39)29-8-6-7-9-32(29)40-3;1-20-11-15-32(16-12-20)23-9-10-26-25(19-23)29(31-28(30-26)22-7-8-22)33-17-13-21(14-18-33)24-5-3-4-6-27(24)34-2;1-34-26-5-3-2-4-23(26)19-10-14-33(15-11-19)28-24-18-22(32-16-12-21(29)13-17-32)8-9-25(24)30-27(31-28)20-6-7-20;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;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;1-2-7-4(6)3-5;2*2-1-3/h6-9,12-13,24-27H,4-5,10-11,14-23H2,1-3H3;3-6,9-10,19-22H,7-8,11-18H2,1-2H3;2-5,8-9,18-21H,6-7,10-17,29H2,1H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);2-3H2,1H3;;.
What are the key properties of 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?
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 has a molecular weight of 2349.71 g/mol, XLogP of 24.66, 27 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163545112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).