6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride

C82H105ClF3N11O5 — CID 157227878

IUPAC6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride
SMILESC.CCCCc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1F.CCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1F.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(F)c23)CC1.Cl
InChIInChI=1S/C27H33FN4O.C27H32FN3O.C26H31FN4O2.CH4O.CH4.ClH/c1-4-15-31(2)22-12-11-21-24(25(22)28)27(30-26(29-21)19-9-10-19)32-16-13-18(14-17-32)20-7-5-6-8-23(20)33-3;1-3-4-7-19-12-13-22-24(25(19)28)27(30-26(29-22)20-10-11-20)31-16-14-18(15-17-31)21-8-5-6-9-23(21)32-2;1-30(15-16-32)21-10-9-20-23(24(21)27)26(29-25(28-20)18-7-8-18)31-13-11-17(12-14-31)19-5-3-4-6-22(19)33-2;1-2;;/h5-8,11-12,18-19H,4,9-10,13-17H2,1-3H3;5-6,8-9,12-13,18,20H,3-4,7,10-11,14-17H2,1-2H3;3-6,9-10,17-18,32H,7-8,11-16H2,1-2H3;2H,1H3;1H4;1H
InChIKeyKEHYDONMTBKYNS-UHFFFAOYSA-N
MW1417.26 g/mol
LogP17.40
Rot. Bonds21

About 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride

6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride (PubChem CID 157227878) has the molecular formula C82H105ClF3N11O5 and a molecular weight of 1417.26 g/mol. Its IUPAC name is 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride.

Molecular Properties

Compound Name6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride
PubChem CID157227878
Molecular FormulaC82H105ClF3N11O5
Molecular Weight1417.26 g/mol
Exact Mass1415.79
IUPAC Name6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride
SMILESC.CCCCc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1F.CCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1F.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(F)c23)CC1.Cl
InChIInChI=1S/C27H33FN4O.C27H32FN3O.C26H31FN4O2.CH4O.CH4.ClH/c1-4-15-31(2)22-12-11-21-24(25(22)28)27(30-26(29-21)19-9-10-19)32-16-13-18(14-17-32)20-7-5-6-8-23(20)33-3;1-3-4-7-19-12-13-22-24(25(19)28)27(30-26(29-22)20-10-11-20)31-16-14-18(15-17-31)21-8-5-6-9-23(21)32-2;1-30(15-16-32)21-10-9-20-23(24(21)27)26(29-25(28-20)18-7-8-18)31-13-11-17(12-14-31)19-5-3-4-6-22(19)33-2;1-2;;/h5-8,11-12,18-19H,4,9-10,13-17H2,1-3H3;5-6,8-9,12-13,18,20H,3-4,7,10-11,14-17H2,1-2H3;3-6,9-10,17-18,32H,7-8,11-16H2,1-2H3;2H,1H3;1H4;1H
InChIKeyKEHYDONMTBKYNS-UHFFFAOYSA-N
XLogP17.40
TPSA161.69 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.26
LogP ≤ 517.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride with MolForge

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Related Compounds

2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol
CID 118610427
2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine
CID 90236942
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
CID 90237274
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 90237332
2-[[2-Cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 90237403
US10118902, Example 18
CID 118610314
US10118902, Example 125
CID 118610338
US10118902, Example 47
CID 118610411
US10118902, Example 59
CID 118610423
US10118902, Example 133
CID 118610426
US10118902, Example 132
CID 118617599
US10118902, Example 117
CID 118617645

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride?
The IUPAC name of 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride (CID 157227878) is 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride.
What is the SMILES notation for 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride?
The canonical SMILES for 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride is C.CCCCc1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1F.CCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1F.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(F)c23)CC1.Cl.
What is the InChIKey of 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride?
The InChIKey is KEHYDONMTBKYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O.C27H32FN3O.C26H31FN4O2.CH4O.CH4.ClH/c1-4-15-31(2)22-12-11-21-24(25(22)28)27(30-26(29-21)19-9-10-19)32-16-13-18(14-17-32)20-7-5-6-8-23(20)33-3;1-3-4-7-19-12-13-22-24(25(19)28)27(30-26(29-22)20-10-11-20)31-16-14-18(15-17-31)21-8-5-6-9-23(21)32-2;1-30(15-16-32)21-10-9-20-23(24(21)27)26(29-25(28-20)18-7-8-18)31-13-11-17(12-14-31)19-5-3-4-6-22(19)33-2;1-2;;/h5-8,11-12,18-19H,4,9-10,13-17H2,1-3H3;5-6,8-9,12-13,18,20H,3-4,7,10-11,14-17H2,1-2H3;3-6,9-10,17-18,32H,7-8,11-16H2,1-2H3;2H,1H3;1H4;1H.
What are the key properties of 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride?
6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride has a molecular weight of 1417.26 g/mol, XLogP of 17.40, 21 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride is sourced from PubChem (CID 157227878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).