2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride

C130H158BrClN20O18 — CID 162266175

IUPAC2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride
SMILESCCOC(=O)CBr.CCOC(=O)CN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCOC(=O)CNc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CO.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc([N+](=O)[O-])cc23)CC1.COc1ccccc1C1CCNCC1.Cl.O=c1[nH]c(C2CC2)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C28H34N4O3.C27H32N4O3.C23H24N4O3.C23H26N4O.C12H17NO.C11H9N3O3.C4H7BrO2.2CH4O.ClH/c1-4-35-26(33)18-31(2)21-11-12-24-23(17-21)28(30-27(29-24)20-9-10-20)32-15-13-19(14-16-32)22-7-5-6-8-25(22)34-3;1-3-34-25(32)17-28-20-10-11-23-22(16-20)27(30-26(29-23)19-8-9-19)31-14-12-18(13-15-31)21-6-4-5-7-24(21)33-2;1-30-21-5-3-2-4-18(21)15-10-12-26(13-11-15)23-19-14-17(27(28)29)8-9-20(19)24-22(25-23)16-6-7-16;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;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;15-11-8-5-7(14(16)17)3-4-9(8)12-10(13-11)6-1-2-6;1-2-7-4(6)3-5;2*1-2;/h5-8,11-12,17,19-20H,4,9-10,13-16,18H2,1-3H3;4-7,10-11,16,18-19,28H,3,8-9,12-15,17H2,1-2H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;2-5,8-9,14-16H,6-7,10-13,24H2,1H3;2-5,10,13H,6-9H2,1H3;3-6H,1-2H2,(H,12,13,15);2-3H2,1H3;2*2H,1H3;1H
InChIKeyRHCXUKFFMZGFDA-UHFFFAOYSA-N
MW2404.17 g/mol
LogP23.52
Rot. Bonds31

About 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride

2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride (PubChem CID 162266175) has the molecular formula C130H158BrClN20O18 and a molecular weight of 2404.17 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride
PubChem CID162266175
Molecular FormulaC130H158BrClN20O18
Molecular Weight2404.17 g/mol
Exact Mass2401.09
IUPAC Name2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride
SMILESCCOC(=O)CBr.CCOC(=O)CN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCOC(=O)CNc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CO.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc([N+](=O)[O-])cc23)CC1.COc1ccccc1C1CCNCC1.Cl.O=c1[nH]c(C2CC2)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C28H34N4O3.C27H32N4O3.C23H24N4O3.C23H26N4O.C12H17NO.C11H9N3O3.C4H7BrO2.2CH4O.ClH/c1-4-35-26(33)18-31(2)21-11-12-24-23(17-21)28(30-27(29-24)20-9-10-20)32-15-13-19(14-16-32)22-7-5-6-8-25(22)34-3;1-3-34-25(32)17-28-20-10-11-23-22(16-20)27(30-26(29-23)19-8-9-19)31-14-12-18(13-15-31)21-6-4-5-7-24(21)33-2;1-30-21-5-3-2-4-18(21)15-10-12-26(13-11-15)23-19-14-17(27(28)29)8-9-20(19)24-22(25-23)16-6-7-16;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;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;15-11-8-5-7(14(16)17)3-4-9(8)12-10(13-11)6-1-2-6;1-2-7-4(6)3-5;2*1-2;/h5-8,11-12,17,19-20H,4,9-10,13-16,18H2,1-3H3;4-7,10-11,16,18-19,28H,3,8-9,12-15,17H2,1-2H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;2-5,8-9,14-16H,6-7,10-13,24H2,1H3;2-5,10,13H,6-9H2,1H3;3-6H,1-2H2,(H,12,13,15);2-3H2,1H3;2*2H,1H3;1H
InChIKeyRHCXUKFFMZGFDA-UHFFFAOYSA-N
XLogP23.52
TPSA466.94 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002404.17
LogP ≤ 523.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride?
The IUPAC name of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride (CID 162266175) is 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride is CCOC(=O)CBr.CCOC(=O)CN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCOC(=O)CNc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CO.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc([N+](=O)[O-])cc23)CC1.COc1ccccc1C1CCNCC1.Cl.O=c1[nH]c(C2CC2)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride?
The InChIKey is RHCXUKFFMZGFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3.C27H32N4O3.C23H24N4O3.C23H26N4O.C12H17NO.C11H9N3O3.C4H7BrO2.2CH4O.ClH/c1-4-35-26(33)18-31(2)21-11-12-24-23(17-21)28(30-27(29-24)20-9-10-20)32-15-13-19(14-16-32)22-7-5-6-8-25(22)34-3;1-3-34-25(32)17-28-20-10-11-23-22(16-20)27(30-26(29-23)19-8-9-19)31-14-12-18(13-15-31)21-6-4-5-7-24(21)33-2;1-30-21-5-3-2-4-18(21)15-10-12-26(13-11-15)23-19-14-17(27(28)29)8-9-20(19)24-22(25-23)16-6-7-16;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;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;15-11-8-5-7(14(16)17)3-4-9(8)12-10(13-11)6-1-2-6;1-2-7-4(6)3-5;2*1-2;/h5-8,11-12,17,19-20H,4,9-10,13-16,18H2,1-3H3;4-7,10-11,16,18-19,28H,3,8-9,12-15,17H2,1-2H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;2-5,8-9,14-16H,6-7,10-13,24H2,1H3;2-5,10,13H,6-9H2,1H3;3-6H,1-2H2,(H,12,13,15);2-3H2,1H3;2*2H,1H3;1H.
What are the key properties of 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride?
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride has a molecular weight of 2404.17 g/mol, XLogP of 23.52, 31 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;2-cyclopropyl-6-nitro-3H-quinazolin-4-one;ethyl 2-bromoacetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]amino]acetate;ethyl 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetate;methanol;4-(2-methoxyphenyl)piperidine;hydrochloride is sourced from PubChem (CID 162266175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).